3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide

C15H15N7O — CID 97089427

IUPAC3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H15N7O/c1-10(19-15(23)13-14(16)18-8-7-17-13)12-9-22(21-20-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,18)(H,19,23)/t10-/m0/s1
InChIKeyJWNNPVAUDYOIHN-JTQLQIEISA-N
MW309.33 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide

3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 97089427) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID97089427
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H15N7O/c1-10(19-15(23)13-14(16)18-8-7-17-13)12-9-22(21-20-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,18)(H,19,23)/t10-/m0/s1
InChIKeyJWNNPVAUDYOIHN-JTQLQIEISA-N
XLogP1.13
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 97089427) is 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide is C[C@H](NC(=O)c1nccnc1N)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is JWNNPVAUDYOIHN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N7O/c1-10(19-15(23)13-14(16)18-8-7-17-13)12-9-22(21-20-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,18)(H,19,23)/t10-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97089427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).