5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine

C12H14N4 — CID 115028784

IUPAC5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESCc1cccc(C2(c3nc(N)n[nH]3)CC2)c1
InChIInChI=1S/C12H14N4/c1-8-3-2-4-9(7-8)12(5-6-12)10-14-11(13)16-15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16)
InChIKeyYOSQLCYXULYQRF-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.78
Rot. Bonds2

About 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine

5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine (PubChem CID 115028784) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
PubChem CID115028784
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESCc1cccc(C2(c3nc(N)n[nH]3)CC2)c1
InChIInChI=1S/C12H14N4/c1-8-3-2-4-9(7-8)12(5-6-12)10-14-11(13)16-15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16)
InChIKeyYOSQLCYXULYQRF-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-chlorophenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine
CID 115040579
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
5-(1-propylcyclopropyl)-1H-1,2,4-triazol-3-amine
CID 130553098
2-[1-(3-methylphenyl)cyclopropyl]propan-2-amine
CID 83673809
[4-(3-methylphenyl)thian-4-yl]methanamine
CID 83822688
4-(3-methylphenyl)-4-(2-methyltetrazol-5-yl)piperidine
CID 116844733
2-methyl-2-(3-methylphenyl)cyclobutan-1-one
CID 86070267
2-methyl-2-(3-methylphenyl)-1,3-dithiolane
CID 58896074
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
CID 70298951
[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
CID 64906687

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine (CID 115028784) is 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine is Cc1cccc(C2(c3nc(N)n[nH]3)CC2)c1.
What is the InChIKey of 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is YOSQLCYXULYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-3-2-4-9(7-8)12(5-6-12)10-14-11(13)16-15-10/h2-4,7H,5-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine?
5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 214.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylphenyl)cyclopropyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 115028784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).