5-amino-N-propyl-1,2,4-triazole-1-carboxamide

C6H11N5O — CID 91618502

IUPAC5-amino-N-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCNC(=O)n1ncnc1N
InChIInChI=1S/C6H11N5O/c1-2-3-8-6(12)11-5(7)9-4-10-11/h4H,2-3H2,1H3,(H,8,12)(H2,7,9,10)
InChIKeyKFCWOHFDMSBBSV-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.17
Rot. Bonds2

About 5-amino-N-propyl-1,2,4-triazole-1-carboxamide

5-amino-N-propyl-1,2,4-triazole-1-carboxamide (PubChem CID 91618502) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 5-amino-N-propyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-propyl-1,2,4-triazole-1-carboxamide
PubChem CID91618502
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name5-amino-N-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCNC(=O)n1ncnc1N
InChIInChI=1S/C6H11N5O/c1-2-3-8-6(12)11-5(7)9-4-10-11/h4H,2-3H2,1H3,(H,8,12)(H2,7,9,10)
InChIKeyKFCWOHFDMSBBSV-UHFFFAOYSA-N
XLogP-0.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-amino-N-propyl-1,2,4-triazole-1-carboxamide (CID 91618502) is 5-amino-N-propyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-propyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-amino-N-propyl-1,2,4-triazole-1-carboxamide is CCCNC(=O)n1ncnc1N.
What is the InChIKey of 5-amino-N-propyl-1,2,4-triazole-1-carboxamide?
The InChIKey is KFCWOHFDMSBBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-3-8-6(12)11-5(7)9-4-10-11/h4H,2-3H2,1H3,(H,8,12)(H2,7,9,10).
What are the key properties of 5-amino-N-propyl-1,2,4-triazole-1-carboxamide?
5-amino-N-propyl-1,2,4-triazole-1-carboxamide has a molecular weight of 169.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 91618502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).