N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C8H9N7O — CID 6497091

IUPACN-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C8H9N7O/c16-7(11-5-1-2-5)6-12-8(14-13-6)15-3-9-10-4-15/h3-5H,1-2H2,(H,11,16)(H,12,13,14)
InChIKeyBWWQVUJGUQMXJT-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.72
Rot. Bonds3

About N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 6497091) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID6497091
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(-n2cnnc2)n[nH]1
InChIInChI=1S/C8H9N7O/c16-7(11-5-1-2-5)6-12-8(14-13-6)15-3-9-10-4-15/h3-5H,1-2H2,(H,11,16)(H,12,13,14)
InChIKeyBWWQVUJGUQMXJT-UHFFFAOYSA-N
XLogP-0.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 6497091) is N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CC1)c1nc(-n2cnnc2)n[nH]1.
What is the InChIKey of N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BWWQVUJGUQMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c16-7(11-5-1-2-5)6-12-8(14-13-6)15-3-9-10-4-15/h3-5H,1-2H2,(H,11,16)(H,12,13,14).
What are the key properties of N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 219.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 6497091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).