N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide

C13H22N4O — CID 107158781

IUPACN-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(N)CC(C)C)c(C)nn1
InChIInChI=1S/C13H22N4O/c1-8(2)5-11(14)7-15-13(18)12-6-9(3)16-17-10(12)4/h6,8,11H,5,7,14H2,1-4H3,(H,15,18)
InChIKeyJAFCIDBEFXZAKJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

About N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 107158781) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID107158781
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(N)CC(C)C)c(C)nn1
InChIInChI=1S/C13H22N4O/c1-8(2)5-11(14)7-15-13(18)12-6-9(3)16-17-10(12)4/h6,8,11H,5,7,14H2,1-4H3,(H,15,18)
InChIKeyJAFCIDBEFXZAKJ-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide (CID 107158781) is N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCC(N)CC(C)C)c(C)nn1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is JAFCIDBEFXZAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)5-11(14)7-15-13(18)12-6-9(3)16-17-10(12)4/h6,8,11H,5,7,14H2,1-4H3,(H,15,18).
What are the key properties of N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 107158781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).