N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide

C9H17N5O — CID 81483875

IUPACN-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCn1cncn1
InChIInChI=1S/C9H17N5O/c1-9(2,10)5-12-8(15)3-4-14-7-11-6-13-14/h6-7H,3-5,10H2,1-2H3,(H,12,15)
InChIKeyCNASPTRDMSEVMT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.48
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 81483875) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID81483875
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(N)CNC(=O)CCn1cncn1
InChIInChI=1S/C9H17N5O/c1-9(2,10)5-12-8(15)3-4-14-7-11-6-13-14/h6-7H,3-5,10H2,1-2H3,(H,12,15)
InChIKeyCNASPTRDMSEVMT-UHFFFAOYSA-N
XLogP-0.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113258923
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113348269
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 82994001
N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95276466

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 81483875) is N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)(N)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CNASPTRDMSEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,10)5-12-8(15)3-4-14-7-11-6-13-14/h6-7H,3-5,10H2,1-2H3,(H,12,15).
What are the key properties of N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 211.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 81483875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).