3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C16H21ClN4 — CID 134790498

IUPAC3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCN1CCn2c(nnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN4/c1-12(2)7-8-20-9-10-21-15(11-20)18-19-16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyMOUALBBCAVYFNO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.46
Rot. Bonds4

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

3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134790498) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134790498
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CCN1CCn2c(nnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN4/c1-12(2)7-8-20-9-10-21-15(11-20)18-19-16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyMOUALBBCAVYFNO-UHFFFAOYSA-N
XLogP3.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134790498) is 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CCN1CCn2c(nnc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MOUALBBCAVYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-12(2)7-8-20-9-10-21-15(11-20)18-19-16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.82 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134790498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).