N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

C17H16ClN7O2 — CID 126773066

IUPACN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(=O)[nH]c1C
InChIInChI=1S/C17H16ClN7O2/c1-8-9(2)20-16(26)14(19-8)17(27)21-11-5-6-12(18)13(7-11)25-15(10-3-4-10)22-23-24-25/h5-7,10H,3-4H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyBZRMXFGBPOXWGH-UHFFFAOYSA-N
MW385.82 g/mol
LogP2.15
Rot. Bonds4

About N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 126773066) has the molecular formula C17H16ClN7O2 and a molecular weight of 385.82 g/mol. Its IUPAC name is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID126773066
Molecular FormulaC17H16ClN7O2
Molecular Weight385.82 g/mol
Exact Mass385.11
IUPAC NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(=O)[nH]c1C
InChIInChI=1S/C17H16ClN7O2/c1-8-9(2)20-16(26)14(19-8)17(27)21-11-5-6-12(18)13(7-11)25-15(10-3-4-10)22-23-24-25/h5-7,10H,3-4H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyBZRMXFGBPOXWGH-UHFFFAOYSA-N
XLogP2.15
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (CID 126773066) is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is Cc1nc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)c(=O)[nH]c1C.
What is the InChIKey of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is BZRMXFGBPOXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O2/c1-8-9(2)20-16(26)14(19-8)17(27)21-11-5-6-12(18)13(7-11)25-15(10-3-4-10)22-23-24-25/h5-7,10H,3-4H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 126773066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).