4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide

C15H19N5O2 — CID 88535208

IUPAC4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCCC1Nc1c(C(N)=O)cnn2c(N=O)ccc12
InChIInChI=1S/C15H19N5O2/c1-9-4-2-3-5-11(9)18-14-10(15(16)21)8-17-20-12(14)6-7-13(20)19-22/h6-9,11,18H,2-5H2,1H3,(H2,16,21)
InChIKeyFSBZQEOKMUZDPL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.82
Rot. Bonds4

About 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 88535208) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID88535208
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC1CCCCC1Nc1c(C(N)=O)cnn2c(N=O)ccc12
InChIInChI=1S/C15H19N5O2/c1-9-4-2-3-5-11(9)18-14-10(15(16)21)8-17-20-12(14)6-7-13(20)19-22/h6-9,11,18H,2-5H2,1H3,(H2,16,21)
InChIKeyFSBZQEOKMUZDPL-UHFFFAOYSA-N
XLogP2.82
TPSA101.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide (CID 88535208) is 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CCCCC1Nc1c(C(N)=O)cnn2c(N=O)ccc12.
What is the InChIKey of 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is FSBZQEOKMUZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-4-2-3-5-11(9)18-14-10(15(16)21)8-17-20-12(14)6-7-13(20)19-22/h6-9,11,18H,2-5H2,1H3,(H2,16,21).
What are the key properties of 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclohexyl)amino]-7-nitrosopyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 88535208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).