N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

C16H29N5 — CID 62294147

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCCN1CCC(N(C)c2ccc(CNC(C)C)nn2)CC1
InChIInChI=1S/C16H29N5/c1-5-21-10-8-15(9-11-21)20(4)16-7-6-14(18-19-16)12-17-13(2)3/h6-7,13,15,17H,5,8-12H2,1-4H3
InChIKeyYEKRQEXGUMBRDZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (PubChem CID 62294147) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
PubChem CID62294147
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCCN1CCC(N(C)c2ccc(CNC(C)C)nn2)CC1
InChIInChI=1S/C16H29N5/c1-5-21-10-8-15(9-11-21)20(4)16-7-6-14(18-19-16)12-17-13(2)3/h6-7,13,15,17H,5,8-12H2,1-4H3
InChIKeyYEKRQEXGUMBRDZ-UHFFFAOYSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (CID 62294147) is N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is CCN1CCC(N(C)c2ccc(CNC(C)C)nn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The InChIKey is YEKRQEXGUMBRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-21-10-8-15(9-11-21)20(4)16-7-6-14(18-19-16)12-17-13(2)3/h6-7,13,15,17H,5,8-12H2,1-4H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62294147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).