N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide

C15H24N4O — CID 104672843

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CN)CCCC(C)C2)c(C)nn1
InChIInChI=1S/C15H24N4O/c1-10-5-4-6-15(8-10,9-16)17-14(20)13-7-11(2)18-19-12(13)3/h7,10H,4-6,8-9,16H2,1-3H3,(H,17,20)
InChIKeyOMHBRVQIPJXWGF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104672843) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104672843
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CN)CCCC(C)C2)c(C)nn1
InChIInChI=1S/C15H24N4O/c1-10-5-4-6-15(8-10,9-16)17-14(20)13-7-11(2)18-19-12(13)3/h7,10H,4-6,8-9,16H2,1-3H3,(H,17,20)
InChIKeyOMHBRVQIPJXWGF-UHFFFAOYSA-N
XLogP1.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104672843) is N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC2(CN)CCCC(C)C2)c(C)nn1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is OMHBRVQIPJXWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-5-4-6-15(8-10,9-16)17-14(20)13-7-11(2)18-19-12(13)3/h7,10H,4-6,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104672843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).