N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H22N6O — CID 46958435

IUPACN-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CN1CCCCCC1)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C15H22N6O/c1-12(11-20-8-4-2-3-5-9-20)17-14(22)13-18-15-16-7-6-10-21(15)19-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,22)
InChIKeyDMGXPZZJVIVIHP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.12
Rot. Bonds4

About N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46958435) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46958435
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CN1CCCCCC1)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C15H22N6O/c1-12(11-20-8-4-2-3-5-9-20)17-14(22)13-18-15-16-7-6-10-21(15)19-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,22)
InChIKeyDMGXPZZJVIVIHP-UHFFFAOYSA-N
XLogP1.12
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51851731
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375348
2-(ethylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 62176247
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46958435) is N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(CN1CCCCCC1)NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DMGXPZZJVIVIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-12(11-20-8-4-2-3-5-9-20)17-14(22)13-18-15-16-7-6-10-21(15)19-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,17,22).
What are the key properties of N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46958435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).