N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine

C15H24N6 — CID 86801158

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
SMILESCCn1c(C)nnc1CNC1CCCCC1n1cccn1
InChIInChI=1S/C15H24N6/c1-3-20-12(2)18-19-15(20)11-16-13-7-4-5-8-14(13)21-10-6-9-17-21/h6,9-10,13-14,16H,3-5,7-8,11H2,1-2H3
InChIKeyUTARMSNUNSKHBB-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.08
Rot. Bonds5

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine (PubChem CID 86801158) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
PubChem CID86801158
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
SMILESCCn1c(C)nnc1CNC1CCCCC1n1cccn1
InChIInChI=1S/C15H24N6/c1-3-20-12(2)18-19-15(20)11-16-13-7-4-5-8-14(13)21-10-6-9-17-21/h6,9-10,13-14,16H,3-5,7-8,11H2,1-2H3
InChIKeyUTARMSNUNSKHBB-UHFFFAOYSA-N
XLogP2.08
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine (CID 86801158) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine is CCn1c(C)nnc1CNC1CCCCC1n1cccn1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
The InChIKey is UTARMSNUNSKHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-20-12(2)18-19-15(20)11-16-13-7-4-5-8-14(13)21-10-6-9-17-21/h6,9-10,13-14,16H,3-5,7-8,11H2,1-2H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine is sourced from PubChem (CID 86801158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).