bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 160899891) has the molecular formula C75H84Cl2N24O8 and a molecular weight of 1520.56 g/mol. Its IUPAC name is bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name	bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID	160899891
Molecular Formula	C75H84Cl2N24O8
Molecular Weight	1520.56 g/mol
Exact Mass	1518.63
IUPAC Name	bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILES	NC(=O)c1cnn2cccc2c1NC1CCCOC1.NC(=O)c1cnn2cccc2c1NC1CCOC1.NC1CCCOC1.NC1CCOC1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOC1
InChI	InChI=1S/C13H16N4O2.C13H14N4O.C12H14N4O2.C12H12N4O.2C8H4ClN3.C5H11NO.C4H9NO/c14-13(18)10-7-15-17-5-1-4-11(17)12(10)16-9-3-2-6-19-8-9;1-14-11-8-15-17-6-2-5-12(17)13(11)16-10-4-3-7-18-9-10;13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8;1-13-10-7-14-16-5-2-3-11(16)12(10)15-9-4-6-17-8-9;21-10-6-5-11-12-4-2-3-7(12)8(6)9;6-5-2-1-3-7-4-5;5-4-1-2-6-3-4/h1,4-5,7,9,16H,2-3,6,8H2,(H2,14,18);2,5-6,8,10,16H,3-4,7,9H2;1-2,4,6,8,15H,3,5,7H2,(H2,13,17);2-3,5,7,9,15H,4,6,8H2;22-5H;5H,1-4,6H2;4H,1-3,5H2
InChIKey	SPJBKMHOKPHJRX-UHFFFAOYSA-N
XLogP	11.16
TPSA	362.96 Å²
H-Bond Donors	8
H-Bond Acceptors	26
Rotatable Bonds	10
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1520.56
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 160899891) is bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cccc2c1NC1CCCOC1.NC(=O)c1cnn2cccc2c1NC1CCOC1.NC1CCCOC1.NC1CCOC1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCCOC1.[C-]#[N+]c1cnn2cccc2c1NC1CCOC1.

What is the InChIKey of bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is SPJBKMHOKPHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.C13H14N4O.C12H14N4O2.C12H12N4O.2C8H4ClN3.C5H11NO.C4H9NO/c14-13(18)10-7-15-17-5-1-4-11(17)12(10)16-9-3-2-6-19-8-9;1-14-11-8-15-17-6-2-5-12(17)13(11)16-10-4-3-7-18-9-10;13-12(17)9-6-14-16-4-1-2-10(16)11(9)15-8-3-5-18-7-8;1-13-10-7-14-16-5-2-3-11(16)12(10)15-9-4-6-17-8-9;2*1-10-6-5-11-12-4-2-3-7(12)8(6)9;6-5-2-1-3-7-4-5;5-4-1-2-6-3-4/h1,4-5,7,9,16H,2-3,6,8H2,(H2,14,18);2,5-6,8,10,16H,3-4,7,9H2;1-2,4,6,8,15H,3,5,7H2,(H2,13,17);2-3,5,7,9,15H,4,6,8H2;2*2-5H;5H,1-4,6H2;4H,1-3,5H2.

What are the key properties of bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

Where does this data come from?

All data for bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);3-isocyano-N-(oxan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-(oxolan-3-yl)pyrrolo[1,2-b]pyridazin-4-amine;oxan-3-amine;4-(oxan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;oxolan-3-amine;4-(oxolan-3-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 160899891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).