3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

C25H29N7 — CID 42852452

IUPAC3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1cncc(CN2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n34)CC2)c1
InChIInChI=1S/C25H29N7/c1-2-8-20(9-3-1)23-28-29-24-21-10-4-5-11-22(21)27-25(32(23)24)31-15-13-30(14-16-31)18-19-7-6-12-26-17-19/h4-7,10-12,17,20H,1-3,8-9,13-16,18H2
InChIKeyRWAWERRKNKULLG-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.04
Rot. Bonds4

About 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 42852452) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID42852452
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1cncc(CN2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n34)CC2)c1
InChIInChI=1S/C25H29N7/c1-2-8-20(9-3-1)23-28-29-24-21-10-4-5-11-22(21)27-25(32(23)24)31-15-13-30(14-16-31)18-19-7-6-12-26-17-19/h4-7,10-12,17,20H,1-3,8-9,13-16,18H2
InChIKeyRWAWERRKNKULLG-UHFFFAOYSA-N
XLogP4.04
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 46045198
3-benzyl-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865043
2-[4-(3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 42852439
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42852416
5-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 50815243
[4-(8-chloro-3-cyclohexyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 46063905
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46045350
8-chloro-3-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865037

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (CID 42852452) is 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is c1cncc(CN2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n34)CC2)c1.
What is the InChIKey of 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is RWAWERRKNKULLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-2-8-20(9-3-1)23-28-29-24-21-10-4-5-11-22(21)27-25(32(23)24)31-15-13-30(14-16-31)18-19-7-6-12-26-17-19/h4-7,10-12,17,20H,1-3,8-9,13-16,18H2.
What are the key properties of 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 427.56 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 42852452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).