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

C13H21N5O — CID 62793339

IUPAC3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(CC2CCCCC2)C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-13-15-11(16-17-13)12(19)18(10-6-7-10)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16,17)
InChIKeyRASSVVFQFZXUDL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds4

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

3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793339) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793339
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(CC2CCCCC2)C2CC2)n1
InChIInChI=1S/C13H21N5O/c14-13-15-11(16-17-13)12(19)18(10-6-7-10)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16,17)
InChIKeyRASSVVFQFZXUDL-UHFFFAOYSA-N
XLogP1.57
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide (CID 62793339) is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N(CC2CCCCC2)C2CC2)n1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RASSVVFQFZXUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-13-15-11(16-17-13)12(19)18(10-6-7-10)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H3,14,15,16,17).
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).