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

C14H14N6O — CID 16671589

IUPACN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnccn1
InChIInChI=1S/C14H14N6O/c1-10(17-14(21)12-8-15-6-7-16-12)9-20-13-5-3-2-4-11(13)18-19-20/h2-8,10H,9H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyVDNRAUVQHANKKG-JTQLQIEISA-N
MW282.31 g/mol
LogP1.04
Rot. Bonds4

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

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 16671589) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID16671589
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnccn1
InChIInChI=1S/C14H14N6O/c1-10(17-14(21)12-8-15-6-7-16-12)9-20-13-5-3-2-4-11(13)18-19-20/h2-8,10H,9H2,1H3,(H,17,21)/t10-/m0/s1
InChIKeyVDNRAUVQHANKKG-JTQLQIEISA-N
XLogP1.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
CID 16671578
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]cyclopropanecarboxamide
CID 16671536
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]pyrazine-2-carboxamide
CID 95856781
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
CID 53164110
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
CID 16672272
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide (CID 16671589) is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide is C[C@@H](Cn1nnc2ccccc21)NC(=O)c1cnccn1.
What is the InChIKey of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is VDNRAUVQHANKKG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N6O/c1-10(17-14(21)12-8-15-6-7-16-12)9-20-13-5-3-2-4-11(13)18-19-20/h2-8,10H,9H2,1H3,(H,17,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.04, 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]pyrazine-2-carboxamide is sourced from PubChem (CID 16671589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).