2-phenyl-4-propan-2-yltriazole

C11H13N3 — CID 90364228

IUPAC2-phenyl-4-propan-2-yltriazole
SMILESCC(C)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9(2)11-8-12-14(13-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyGRBMHKXQWWHSNK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.39
Rot. Bonds2

About 2-phenyl-4-propan-2-yltriazole

2-phenyl-4-propan-2-yltriazole (PubChem CID 90364228) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yltriazole.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yltriazole
PubChem CID90364228
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-phenyl-4-propan-2-yltriazole
SMILESCC(C)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9(2)11-8-12-14(13-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyGRBMHKXQWWHSNK-UHFFFAOYSA-N
XLogP2.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methylidene]hydroxylamine
CID 135603818
2-phenyl-2H-1,2,3-triazole-4-carbonitrile
CID 3358673
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
CID 708483
4-(2H-1,2,3-Triazol-2-yl)aniline
CID 15514363
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
2H-1,2,3-Triazole, 2,4-diphenyl-
CID 11074947
2-Methyl-4-phenyl-1,2,3-triazole
CID 13610390
2-Ethyl-4-phenyltriazole
CID 71449346
2-p-Tolyl-2h-[1,2,3]triazole-4-carbonitrile
CID 13675517
2-(3-Fluorophenyl)triazole
CID 123365637
1-Methyl-2-phenyltriazol-1-ium chloride
CID 70697227
2H-1,2,3-Triazole, 2-phenyl-, 1-oxide
CID 3395632

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yltriazole?
The IUPAC name of 2-phenyl-4-propan-2-yltriazole (CID 90364228) is 2-phenyl-4-propan-2-yltriazole.
What is the SMILES notation for 2-phenyl-4-propan-2-yltriazole?
The canonical SMILES for 2-phenyl-4-propan-2-yltriazole is CC(C)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-propan-2-yltriazole?
The InChIKey is GRBMHKXQWWHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9(2)11-8-12-14(13-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yltriazole?
2-phenyl-4-propan-2-yltriazole has a molecular weight of 187.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yltriazole is sourced from PubChem (CID 90364228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).