4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine

C15H20N4 — CID 61352388

IUPAC4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C15H20N4/c1-11-7-9-15(16,10-8-11)14-17-13(18-19-14)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyVRVVVAGHZJFAJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.84
Rot. Bonds2

About 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine

4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (PubChem CID 61352388) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
PubChem CID61352388
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C15H20N4/c1-11-7-9-15(16,10-8-11)14-17-13(18-19-14)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyVRVVVAGHZJFAJS-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 855888
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
Mls003115328
CID 318161
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline
CID 33779314
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
39080-35-8
CID 351015

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (CID 61352388) is 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is CC1CCC(N)(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The InChIKey is VRVVVAGHZJFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-7-9-15(16,10-8-11)14-17-13(18-19-14)12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61352388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).