1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine

C15H20N4 — CID 117394572

IUPAC1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine
SMILESCc1cnn(-c2ccc(C3(N)CCCCC3)cc2)n1
InChIInChI=1S/C15H20N4/c1-12-11-17-19(18-12)14-7-5-13(6-8-14)15(16)9-3-2-4-10-15/h5-8,11H,2-4,9-10,16H2,1H3
InChIKeyMQVJROPITNVUMT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine

1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine (PubChem CID 117394572) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine
PubChem CID117394572
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine
SMILESCc1cnn(-c2ccc(C3(N)CCCCC3)cc2)n1
InChIInChI=1S/C15H20N4/c1-12-11-17-19(18-12)14-7-5-13(6-8-14)15(16)9-3-2-4-10-15/h5-8,11H,2-4,9-10,16H2,1H3
InChIKeyMQVJROPITNVUMT-UHFFFAOYSA-N
XLogP2.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine (CID 117394572) is 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine is Cc1cnn(-c2ccc(C3(N)CCCCC3)cc2)n1.
What is the InChIKey of 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine?
The InChIKey is MQVJROPITNVUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-11-17-19(18-12)14-7-5-13(6-8-14)15(16)9-3-2-4-10-15/h5-8,11H,2-4,9-10,16H2,1H3.
What are the key properties of 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine?
1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyltriazol-2-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117394572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).