3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

C15H14ClN7O2 — CID 121351482

IUPAC3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(Cl)c(-n2nccn2)nc1N
InChIInChI=1S/C15H14ClN7O2/c1-25-10-5-3-2-4-9(10)8-18-15(24)11-13(17)22-14(12(16)21-11)23-19-6-7-20-23/h2-7H,8H2,1H3,(H2,17,22)(H,18,24)
InChIKeyKYRQZMAUSRZQMP-UHFFFAOYSA-N
MW359.78 g/mol
LogP1.23
Rot. Bonds5

About 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351482) has the molecular formula C15H14ClN7O2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351482
Molecular FormulaC15H14ClN7O2
Molecular Weight359.78 g/mol
Exact Mass359.09
IUPAC Name3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(Cl)c(-n2nccn2)nc1N
InChIInChI=1S/C15H14ClN7O2/c1-25-10-5-3-2-4-9(10)8-18-15(24)11-13(17)22-14(12(16)21-11)23-19-6-7-20-23/h2-7H,8H2,1H3,(H2,17,22)(H,18,24)
InChIKeyKYRQZMAUSRZQMP-UHFFFAOYSA-N
XLogP1.23
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 147017328
3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
CID 121351110
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 9404832
5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076883
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 53167148

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 121351482) is 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(Cl)c(-n2nccn2)nc1N.
What is the InChIKey of 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is KYRQZMAUSRZQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O2/c1-25-10-5-3-2-4-9(10)8-18-15(24)11-13(17)22-14(12(16)21-11)23-19-6-7-20-23/h2-7H,8H2,1H3,(H2,17,22)(H,18,24).
What are the key properties of 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 359.78 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).