N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C9H14N4O2 — CID 136831987

IUPACN-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8(7-11-9(15)13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15)
InChIKeyDYBAGFSHUZOCRL-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.16
Rot. Bonds2

About N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831987) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831987
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8(7-11-9(15)13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15)
InChIKeyDYBAGFSHUZOCRL-UHFFFAOYSA-N
XLogP0.16
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831987) is N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NC1CCCCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is DYBAGFSHUZOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8(7-11-9(15)13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).