5-amino-N-butyl-2H-triazole-4-carboxamide

C7H13N5O — CID 110484769

IUPAC5-amino-N-butyl-2H-triazole-4-carboxamide
SMILESCCCCNC(=O)c1n[nH]nc1N
InChIInChI=1S/C7H13N5O/c1-2-3-4-9-7(13)5-6(8)11-12-10-5/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12)
InChIKeyGPSCBGWLDUSFDH-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.08
Rot. Bonds4

About 5-amino-N-butyl-2H-triazole-4-carboxamide

5-amino-N-butyl-2H-triazole-4-carboxamide (PubChem CID 110484769) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 5-amino-N-butyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-2H-triazole-4-carboxamide
PubChem CID110484769
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name5-amino-N-butyl-2H-triazole-4-carboxamide
SMILESCCCCNC(=O)c1n[nH]nc1N
InChIInChI=1S/C7H13N5O/c1-2-3-4-9-7(13)5-6(8)11-12-10-5/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12)
InChIKeyGPSCBGWLDUSFDH-UHFFFAOYSA-N
XLogP-0.08
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-butylthiadiazole-4-carboxamide
CID 2721175
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
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CID 64525391
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
4,5-dibromo-N-hexyl-1H-pyrazole-3-carboxamide
CID 19508407
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-butyl-2H-triazole-4-carboxamide (CID 110484769) is 5-amino-N-butyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butyl-2H-triazole-4-carboxamide is CCCCNC(=O)c1n[nH]nc1N.
What is the InChIKey of 5-amino-N-butyl-2H-triazole-4-carboxamide?
The InChIKey is GPSCBGWLDUSFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-3-4-9-7(13)5-6(8)11-12-10-5/h2-4H2,1H3,(H,9,13)(H3,8,10,11,12).
What are the key properties of 5-amino-N-butyl-2H-triazole-4-carboxamide?
5-amino-N-butyl-2H-triazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).