3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine

C10H18N4O — CID 106872008

IUPAC3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCc2ncn[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-15-9-4-2-3-8(5-9)11-6-10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyLYKJBLLOBRSIFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds4

About 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine

3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 106872008) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID106872008
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCC(NCc2ncn[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-15-9-4-2-3-8(5-9)11-6-10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyLYKJBLLOBRSIFC-UHFFFAOYSA-N
XLogP0.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (CID 106872008) is 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is COC1CCCC(NCc2ncn[nH]2)C1.
What is the InChIKey of 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is LYKJBLLOBRSIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-9-4-2-3-8(5-9)11-6-10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106872008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).