3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide

C9H15N5O — CID 62807330

IUPAC3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C9H15N5O/c10-9-12-7(13-14-9)8(15)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyNMFRLFUSNATSFI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.45
Rot. Bonds2

About 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807330) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807330
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C9H15N5O/c10-9-12-7(13-14-9)8(15)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyNMFRLFUSNATSFI-UHFFFAOYSA-N
XLogP0.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide (CID 62807330) is 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NMFRLFUSNATSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-9-12-7(13-14-9)8(15)11-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).