(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

C20H24N8O — CID 91632703

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)nc2n1
InChIInChI=1S/C20H24N8O/c1-13-11-14(2)28-20(21-13)22-18(25-28)19(29)27-9-7-26(8-10-27)17-12-15-5-3-4-6-16(15)23-24-17/h11-12H,3-10H2,1-2H3
InChIKeyKBOFVMUZNKXAMO-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.37
Rot. Bonds2

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (PubChem CID 91632703) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
PubChem CID91632703
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)nc2n1
InChIInChI=1S/C20H24N8O/c1-13-11-14(2)28-20(21-13)22-18(25-28)19(29)27-9-7-26(8-10-27)17-12-15-5-3-4-6-16(15)23-24-17/h11-12H,3-10H2,1-2H3
InChIKeyKBOFVMUZNKXAMO-UHFFFAOYSA-N
XLogP1.37
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone 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

2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
5,7-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3567025
2,5,7-Trimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242799
3-(5,7-Dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)-1-(4-phenyl-1-piperazinyl)-1-propanone
CID 9550750
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(2-methylpiperidin-1-yl)methanone
CID 3113006
1-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-2-one
CID 68378958
Morpholin-4-yl-(5-phenyl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 652430
2-[(4-Methyl-1-piperidinyl)carbonyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 1257379
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2334589
N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438322
5,7-dimethyl-N-phenethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2451992

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (CID 91632703) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCN(c4cc5c(nn4)CCCC5)CC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The InChIKey is KBOFVMUZNKXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-13-11-14(2)28-20(21-13)22-18(25-28)19(29)27-9-7-26(8-10-27)17-12-15-5-3-4-6-16(15)23-24-17/h11-12H,3-10H2,1-2H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone has a molecular weight of 392.47 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91632703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).