5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

C22H24N6 — CID 15990148

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(N2CCN(c3nc4ccccc4c4nnc(C)n34)CC2)c1C
InChIInChI=1S/C22H24N6/c1-15-7-6-10-20(16(15)2)26-11-13-27(14-12-26)22-23-19-9-5-4-8-18(19)21-25-24-17(3)28(21)22/h4-10H,11-14H2,1-3H3
InChIKeyDNGPOVHELUQQNQ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.53
Rot. Bonds2

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 15990148) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID15990148
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(N2CCN(c3nc4ccccc4c4nnc(C)n34)CC2)c1C
InChIInChI=1S/C22H24N6/c1-15-7-6-10-20(16(15)2)26-11-13-27(14-12-26)22-23-19-9-5-4-8-18(19)21-25-24-17(3)28(21)22/h4-10H,11-14H2,1-3H3
InChIKeyDNGPOVHELUQQNQ-UHFFFAOYSA-N
XLogP3.53
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 15990148) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is Cc1cccc(N2CCN(c3nc4ccccc4c4nnc(C)n34)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is DNGPOVHELUQQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-15-7-6-10-20(16(15)2)26-11-13-27(14-12-26)22-23-19-9-5-4-8-18(19)21-25-24-17(3)28(21)22/h4-10H,11-14H2,1-3H3.
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 372.48 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 15990148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).