3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide

C7H10N6O — CID 62794392

IUPAC3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESN#CCCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H10N6O/c8-3-1-2-4-10-6(14)5-11-7(9)13-12-5/h1-2,4H2,(H,10,14)(H3,9,11,12,13)
InChIKeyWFVFALRNUZZSPA-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.58
Rot. Bonds4

About 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794392) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794392
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESN#CCCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C7H10N6O/c8-3-1-2-4-10-6(14)5-11-7(9)13-12-5/h1-2,4H2,(H,10,14)(H3,9,11,12,13)
InChIKeyWFVFALRNUZZSPA-UHFFFAOYSA-N
XLogP-0.58
TPSA120.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide (CID 62794392) is 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide is N#CCCCNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WFVFALRNUZZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c8-3-1-2-4-10-6(14)5-11-7(9)13-12-5/h1-2,4H2,(H,10,14)(H3,9,11,12,13).
What are the key properties of 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 194.20 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanopropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).