N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide

C13H19N7O — CID 71708720

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(C)Cc1nc(NC(=O)CCNc2ncccn2)n[nH]1
InChIInChI=1S/C13H19N7O/c1-9(2)8-10-17-13(20-19-10)18-11(21)4-7-16-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15,16)(H2,17,18,19,20,21)
InChIKeyZOHPRICDKMSNHO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.23
Rot. Bonds7

About N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71708720) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71708720
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(C)Cc1nc(NC(=O)CCNc2ncccn2)n[nH]1
InChIInChI=1S/C13H19N7O/c1-9(2)8-10-17-13(20-19-10)18-11(21)4-7-16-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15,16)(H2,17,18,19,20,21)
InChIKeyZOHPRICDKMSNHO-UHFFFAOYSA-N
XLogP1.23
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide (CID 71708720) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide is CC(C)Cc1nc(NC(=O)CCNc2ncccn2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is ZOHPRICDKMSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9(2)8-10-17-13(20-19-10)18-11(21)4-7-16-12-14-5-3-6-15-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15,16)(H2,17,18,19,20,21).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71708720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).