3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

C14H10ClF2N7O — CID 121351240

IUPAC3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2N7O/c15-11-13(24-20-3-4-21-24)23-12(18)10(22-11)14(25)19-6-7-1-2-8(16)5-9(7)17/h1-5H,6H2,(H2,18,23)(H,19,25)
InChIKeyDQNOOTWERZNRQI-UHFFFAOYSA-N
MW365.73 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351240) has the molecular formula C14H10ClF2N7O and a molecular weight of 365.73 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351240
Molecular FormulaC14H10ClF2N7O
Molecular Weight365.73 g/mol
Exact Mass365.06
IUPAC Name3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2N7O/c15-11-13(24-20-3-4-21-24)23-12(18)10(22-11)14(25)19-6-7-1-2-8(16)5-9(7)17/h1-5H,6H2,(H2,18,23)(H,19,25)
InChIKeyDQNOOTWERZNRQI-UHFFFAOYSA-N
XLogP1.50
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(4-methyltriazol-2-yl)pyrazine-2-carboxamide
CID 121351110
3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351482
3-amino-N-[(2,4-difluorophenyl)methyl]-6-ethyl-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 145086057
3-amino-6-chloro-N-(1H-inden-2-ylmethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 147017328
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
methyl (2R)-2-[[3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carbonyl]amino]-3-hydroxypropanoate
CID 121351326
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 121351240) is 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is DQNOOTWERZNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N7O/c15-11-13(24-20-3-4-21-24)23-12(18)10(22-11)14(25)19-6-7-1-2-8(16)5-9(7)17/h1-5H,6H2,(H2,18,23)(H,19,25).
What are the key properties of 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 365.73 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).