N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C7H13N5O — CID 65193517

IUPACN-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CN)NC(=O)c1ncn[nH]1
InChIInChI=1S/C7H13N5O/c1-2-5(3-8)11-7(13)6-9-4-10-12-6/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12)
InChIKeyCXUMXUISMDXAQB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.73
Rot. Bonds4

About N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 65193517) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID65193517
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CN)NC(=O)c1ncn[nH]1
InChIInChI=1S/C7H13N5O/c1-2-5(3-8)11-7(13)6-9-4-10-12-6/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12)
InChIKeyCXUMXUISMDXAQB-UHFFFAOYSA-N
XLogP-0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide 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

2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749162
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276442
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 65193517) is N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CCC(CN)NC(=O)c1ncn[nH]1.
What is the InChIKey of N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CXUMXUISMDXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-5(3-8)11-7(13)6-9-4-10-12-6/h4-5H,2-3,8H2,1H3,(H,11,13)(H,9,10,12).
What are the key properties of N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 65193517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).