1-[3-(aminomethyl)cyclohexyl]triazol-4-amine

C9H17N5 — CID 112545763

IUPAC1-[3-(aminomethyl)cyclohexyl]triazol-4-amine
SMILESNCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H17N5/c10-5-7-2-1-3-8(4-7)14-6-9(11)12-13-14/h6-8H,1-5,10-11H2
InChIKeyFPSSGVRAYJUZMR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds2

About 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine

1-[3-(aminomethyl)cyclohexyl]triazol-4-amine (PubChem CID 112545763) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclohexyl]triazol-4-amine
PubChem CID112545763
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[3-(aminomethyl)cyclohexyl]triazol-4-amine
SMILESNCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H17N5/c10-5-7-2-1-3-8(4-7)14-6-9(11)12-13-14/h6-8H,1-5,10-11H2
InChIKeyFPSSGVRAYJUZMR-UHFFFAOYSA-N
XLogP0.55
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine?
The IUPAC name of 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine (CID 112545763) is 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine.
What is the SMILES notation for 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine?
The canonical SMILES for 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine is NCC1CCCC(n2cc(N)nn2)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine?
The InChIKey is FPSSGVRAYJUZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-5-7-2-1-3-8(4-7)14-6-9(11)12-13-14/h6-8H,1-5,10-11H2.
What are the key properties of 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine?
1-[3-(aminomethyl)cyclohexyl]triazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclohexyl]triazol-4-amine is sourced from PubChem (CID 112545763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).