1-(3-methoxycyclohexyl)triazol-4-amine

C9H16N4O — CID 79542192

IUPAC1-(3-methoxycyclohexyl)triazol-4-amine
SMILESCOC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H16N4O/c1-14-8-4-2-3-7(5-8)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3
InChIKeyLDEKRPFIMDDMPD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.99
Rot. Bonds2

About 1-(3-methoxycyclohexyl)triazol-4-amine

1-(3-methoxycyclohexyl)triazol-4-amine (PubChem CID 79542192) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)triazol-4-amine
PubChem CID79542192
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(3-methoxycyclohexyl)triazol-4-amine
SMILESCOC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C9H16N4O/c1-14-8-4-2-3-7(5-8)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3
InChIKeyLDEKRPFIMDDMPD-UHFFFAOYSA-N
XLogP0.99
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)triazol-4-amine?
The IUPAC name of 1-(3-methoxycyclohexyl)triazol-4-amine (CID 79542192) is 1-(3-methoxycyclohexyl)triazol-4-amine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)triazol-4-amine?
The canonical SMILES for 1-(3-methoxycyclohexyl)triazol-4-amine is COC1CCCC(n2cc(N)nn2)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)triazol-4-amine?
The InChIKey is LDEKRPFIMDDMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-8-4-2-3-7(5-8)13-6-9(10)11-12-13/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-(3-methoxycyclohexyl)triazol-4-amine?
1-(3-methoxycyclohexyl)triazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)triazol-4-amine is sourced from PubChem (CID 79542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).