7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C14H17ClN4O2 — CID 53193668

IUPAC7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCn3cnnc3C2)c(Cl)c1OC
InChIInChI=1S/C14H17ClN4O2/c1-20-11-4-3-10(13(15)14(11)21-2)7-18-5-6-19-9-16-17-12(19)8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyVOGKBTUJCYSCKG-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.96
Rot. Bonds4

About 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53193668) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53193668
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccc(CN2CCn3cnnc3C2)c(Cl)c1OC
InChIInChI=1S/C14H17ClN4O2/c1-20-11-4-3-10(13(15)14(11)21-2)7-18-5-6-19-9-16-17-12(19)8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyVOGKBTUJCYSCKG-UHFFFAOYSA-N
XLogP1.96
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
CID 82980371
7-[(2-bromo-5-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 65326366
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 75439034
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-5-fluorophenyl]methanamine
CID 64574752
7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 63587762
(3aS,6aR)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120661038
2-tert-butyl-6-[(2-chloro-3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929051
5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)aniline
CID 79713501
3-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 50980249
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorobenzoic acid
CID 107119520
7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864115

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53193668) is 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccc(CN2CCn3cnnc3C2)c(Cl)c1OC.
What is the InChIKey of 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VOGKBTUJCYSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-20-11-4-3-10(13(15)14(11)21-2)7-18-5-6-19-9-16-17-12(19)8-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 308.77 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53193668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).