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

C10H18N4O — CID 60979545

IUPAC2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-15-9-5-3-2-4-8(9)11-6-10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyYWXYDUKMQJOKKO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds4

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

2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 60979545) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID60979545
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ncn[nH]1
InChIInChI=1S/C10H18N4O/c1-15-9-5-3-2-4-8(9)11-6-10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyYWXYDUKMQJOKKO-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 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (CID 60979545) is 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is COC1CCCCC1NCc1ncn[nH]1.
What is the InChIKey of 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is YWXYDUKMQJOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-9-5-3-2-4-8(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 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
2-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 2-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60979545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).