(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol

C12H19N5O — CID 72902937

IUPAC(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol
SMILESCC(C)C[C@@H](CO)n1cc(-c2nccn2C)nn1
InChIInChI=1S/C12H19N5O/c1-9(2)6-10(8-18)17-7-11(14-15-17)12-13-4-5-16(12)3/h4-5,7,9-10,18H,6,8H2,1-3H3/t10-/m0/s1
InChIKeyGJCZXXLZTQTTIA-JTQLQIEISA-N
MW249.32 g/mol
LogP1.26
Rot. Bonds5

About (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol

(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol (PubChem CID 72902937) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol
PubChem CID72902937
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol
SMILESCC(C)C[C@@H](CO)n1cc(-c2nccn2C)nn1
InChIInChI=1S/C12H19N5O/c1-9(2)6-10(8-18)17-7-11(14-15-17)12-13-4-5-16(12)3/h4-5,7,9-10,18H,6,8H2,1-3H3/t10-/m0/s1
InChIKeyGJCZXXLZTQTTIA-JTQLQIEISA-N
XLogP1.26
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol?
The IUPAC name of (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol (CID 72902937) is (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol.
What is the SMILES notation for (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol?
The canonical SMILES for (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol is CC(C)C[C@@H](CO)n1cc(-c2nccn2C)nn1.
What is the InChIKey of (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol?
The InChIKey is GJCZXXLZTQTTIA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)6-10(8-18)17-7-11(14-15-17)12-13-4-5-16(12)3/h4-5,7,9-10,18H,6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol?
(2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[4-(1-methylimidazol-2-yl)triazol-1-yl]pentan-1-ol is sourced from PubChem (CID 72902937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).