N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide

C15H16N6O — CID 16671578

IUPACN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)cn1
InChIInChI=1S/C15H16N6O/c1-10-7-17-13(8-16-10)15(22)18-11(2)9-21-14-6-4-3-5-12(14)19-20-21/h3-8,11H,9H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyJCBWMPLXNGDKFT-NSHDSACASA-N
MW296.33 g/mol
LogP1.35
Rot. Bonds4

About N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 16671578) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
PubChem CID16671578
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)cn1
InChIInChI=1S/C15H16N6O/c1-10-7-17-13(8-16-10)15(22)18-11(2)9-21-14-6-4-3-5-12(14)19-20-21/h3-8,11H,9H2,1-2H3,(H,18,22)/t11-/m0/s1
InChIKeyJCBWMPLXNGDKFT-NSHDSACASA-N
XLogP1.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 16671589
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671741
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
CID 16672272
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
CID 16671688
4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561
N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide
CID 53482031
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide (CID 16671578) is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)cn1.
What is the InChIKey of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is JCBWMPLXNGDKFT-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-7-17-13(8-16-10)15(22)18-11(2)9-21-14-6-4-3-5-12(14)19-20-21/h3-8,11H,9H2,1-2H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide?
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 16671578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).