5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine

C10H19N5 — CID 104605683

IUPAC5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(CN)CC2)nc1N
InChIInChI=1S/C10H19N5/c1-15-10(12)13-9(14-15)8-4-2-7(6-11)3-5-8/h7-8H,2-6,11H2,1H3,(H2,12,13,14)
InChIKeyLBQHMCHNWUQYGY-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.63
Rot. Bonds2

About 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine

5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605683) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605683
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(CN)CC2)nc1N
InChIInChI=1S/C10H19N5/c1-15-10(12)13-9(14-15)8-4-2-7(6-11)3-5-8/h7-8H,2-6,11H2,1H3,(H2,12,13,14)
InChIKeyLBQHMCHNWUQYGY-UHFFFAOYSA-N
XLogP0.63
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine (CID 104605683) is 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C2CCC(CN)CC2)nc1N.
What is the InChIKey of 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is LBQHMCHNWUQYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-10(12)13-9(14-15)8-4-2-7(6-11)3-5-8/h7-8H,2-6,11H2,1H3,(H2,12,13,14).
What are the key properties of 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine?
5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 209.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).