(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol

C12H17N5O — CID 72899256

IUPAC(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol
SMILESCC(C)C[C@@H](CO)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C12H17N5O/c1-9(2)3-11(7-18)17-6-12(15-16-17)10-4-13-8-14-5-10/h4-6,8-9,11,18H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyZOMHZNLQJJJPMY-NSHDSACASA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds5

About (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol

(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol (PubChem CID 72899256) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol
PubChem CID72899256
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol
SMILESCC(C)C[C@@H](CO)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C12H17N5O/c1-9(2)3-11(7-18)17-6-12(15-16-17)10-4-13-8-14-5-10/h4-6,8-9,11,18H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyZOMHZNLQJJJPMY-NSHDSACASA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
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-pyrimidin-5-yltriazol-1-yl)pentan-1-ol?
The IUPAC name of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol (CID 72899256) is (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol.
What is the SMILES notation for (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol?
The canonical SMILES for (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol is CC(C)C[C@@H](CO)n1cc(-c2cncnc2)nn1.
What is the InChIKey of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol?
The InChIKey is ZOMHZNLQJJJPMY-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)3-11(7-18)17-6-12(15-16-17)10-4-13-8-14-5-10/h4-6,8-9,11,18H,3,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol?
(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.31, 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-pyrimidin-5-yltriazol-1-yl)pentan-1-ol is sourced from PubChem (CID 72899256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).