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

C12H16N6O — CID 72838759

IUPAC(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C12H16N6O/c1-8(2)3-11(12(13)19)18-6-10(16-17-18)9-4-14-7-15-5-9/h4-8,11H,3H2,1-2H3,(H2,13,19)/t11-/m0/s1
InChIKeyMISYQRLXUNQIGN-NSHDSACASA-N
MW260.30 g/mol
LogP0.81
Rot. Bonds5

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

(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide (PubChem CID 72838759) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide
PubChem CID72838759
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide
SMILESCC(C)C[C@@H](C(N)=O)n1cc(-c2cncnc2)nn1
InChIInChI=1S/C12H16N6O/c1-8(2)3-11(12(13)19)18-6-10(16-17-18)9-4-14-7-15-5-9/h4-8,11H,3H2,1-2H3,(H2,13,19)/t11-/m0/s1
InChIKeyMISYQRLXUNQIGN-NSHDSACASA-N
XLogP0.81
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide?
The IUPAC name of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide (CID 72838759) is (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide is CC(C)C[C@@H](C(N)=O)n1cc(-c2cncnc2)nn1.
What is the InChIKey of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide?
The InChIKey is MISYQRLXUNQIGN-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(2)3-11(12(13)19)18-6-10(16-17-18)9-4-14-7-15-5-9/h4-8,11H,3H2,1-2H3,(H2,13,19)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide?
(2S)-4-methyl-2-(4-pyrimidin-5-yltriazol-1-yl)pentanamide has a molecular weight of 260.30 g/mol, XLogP of 0.81, 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)pentanamide is sourced from PubChem (CID 72838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).