1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine

C12H14N4 — CID 105467883

IUPAC1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-c1c(N)nnn1C1CC1
InChIInChI=1S/C12H14N4/c1-8-4-2-3-5-10(8)11-12(13)14-15-16(11)9-6-7-9/h2-5,9H,6-7,13H2,1H3
InChIKeyKQVRYTMNOBJKJS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds2

About 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine

1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine (PubChem CID 105467883) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine
PubChem CID105467883
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine
SMILESCc1ccccc1-c1c(N)nnn1C1CC1
InChIInChI=1S/C12H14N4/c1-8-4-2-3-5-10(8)11-12(13)14-15-16(11)9-6-7-9/h2-5,9H,6-7,13H2,1H3
InChIKeyKQVRYTMNOBJKJS-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
CID 105485933
1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole
CID 156522165
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
1,4-dichloro-5-(2-methylphenyl)triazole
CID 70257618
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(2-methylphenyl)pyrazol-5-amine
CID 43336845
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
5-cyclopropyl-1-(4-methylcyclohexyl)triazol-4-amine
CID 79547220
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
CID 61354468
3-cyclopentyl-5-phenyltriazol-4-amine
CID 105485947
3-[1-(4-ethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 61470054
5-(2-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211058

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine?
The IUPAC name of 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine (CID 105467883) is 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine.
What is the SMILES notation for 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine?
The canonical SMILES for 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine is Cc1ccccc1-c1c(N)nnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine?
The InChIKey is KQVRYTMNOBJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-4-2-3-5-10(8)11-12(13)14-15-16(11)9-6-7-9/h2-5,9H,6-7,13H2,1H3.
What are the key properties of 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine?
1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine has a molecular weight of 214.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine is sourced from PubChem (CID 105467883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).