2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine

C10H18N4 — CID 106826726

IUPAC2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C2(C)CCCCC2)nc1N
InChIInChI=1S/C10H18N4/c1-10(6-4-3-5-7-10)8-12-9(11)14(2)13-8/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyOMNXDYIXBSQPST-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds1

About 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine

2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 106826726) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID106826726
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C2(C)CCCCC2)nc1N
InChIInChI=1S/C10H18N4/c1-10(6-4-3-5-7-10)8-12-9(11)14(2)13-8/h3-7H2,1-2H3,(H2,11,12,13)
InChIKeyOMNXDYIXBSQPST-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine (CID 106826726) is 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine is Cn1nc(C2(C)CCCCC2)nc1N.
What is the InChIKey of 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is OMNXDYIXBSQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(6-4-3-5-7-10)8-12-9(11)14(2)13-8/h3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine?
2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 106826726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).