3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one

C8H8ClN5O — CID 107052060

IUPAC3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
SMILESCn1cc(Cn2ccnc(Cl)c2=O)nn1
InChIInChI=1S/C8H8ClN5O/c1-13-4-6(11-12-13)5-14-3-2-10-7(9)8(14)15/h2-4H,5H2,1H3
InChIKeyLSSDPRQUFUOWMW-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.07
Rot. Bonds2

About 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one

3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one (PubChem CID 107052060) has the molecular formula C8H8ClN5O and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
PubChem CID107052060
Molecular FormulaC8H8ClN5O
Molecular Weight225.64 g/mol
Exact Mass225.04
IUPAC Name3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
SMILESCn1cc(Cn2ccnc(Cl)c2=O)nn1
InChIInChI=1S/C8H8ClN5O/c1-13-4-6(11-12-13)5-14-3-2-10-7(9)8(14)15/h2-4H,5H2,1H3
InChIKeyLSSDPRQUFUOWMW-UHFFFAOYSA-N
XLogP0.07
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-iodo-3-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-one
CID 107052072
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methanamine
CID 107045469
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
CID 103931151
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-chloropyrazin-2-one
CID 114561588
1-(deuteriomethyl)-4-[(2-nitroimidazol-1-yl)methyl]triazole
CID 58090788
3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
CID 130848412
5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 103867554
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
CID 107054359
3-chloro-1-pent-4-ynylpyrazin-2-one
CID 114561564

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one?
The IUPAC name of 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one (CID 107052060) is 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one?
The canonical SMILES for 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one is Cn1cc(Cn2ccnc(Cl)c2=O)nn1.
What is the InChIKey of 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one?
The InChIKey is LSSDPRQUFUOWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O/c1-13-4-6(11-12-13)5-14-3-2-10-7(9)8(14)15/h2-4H,5H2,1H3.
What are the key properties of 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one?
3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one has a molecular weight of 225.64 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one is sourced from PubChem (CID 107052060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).