3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol

C17H22N6O — CID 56788030

IUPAC3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
SMILESCc1nc2c3ccccc3nc(N3CCN(CCCO)CC3)n2n1
InChIInChI=1S/C17H22N6O/c1-13-18-16-14-5-2-3-6-15(14)19-17(23(16)20-13)22-10-8-21(9-11-22)7-4-12-24/h2-3,5-6,24H,4,7-12H2,1H3
InChIKeyKVDCJVBHBDKFNY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.09
Rot. Bonds4

About 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol

3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol (PubChem CID 56788030) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
PubChem CID56788030
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
SMILESCc1nc2c3ccccc3nc(N3CCN(CCCO)CC3)n2n1
InChIInChI=1S/C17H22N6O/c1-13-18-16-14-5-2-3-6-15(14)19-17(23(16)20-13)22-10-8-21(9-11-22)7-4-12-24/h2-3,5-6,24H,4,7-12H2,1H3
InChIKeyKVDCJVBHBDKFNY-UHFFFAOYSA-N
XLogP1.09
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol with MolForge

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Related Compounds

5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 56575856
(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56575191
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 27791941
1-[3-fluoro-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]phenyl]ethanone
CID 56553992
(3-fluoro-4-methylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56574130
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58208554
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364253
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601166

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol (CID 56788030) is 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol is Cc1nc2c3ccccc3nc(N3CCN(CCCO)CC3)n2n1.
What is the InChIKey of 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is KVDCJVBHBDKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13-18-16-14-5-2-3-6-15(14)19-17(23(16)20-13)22-10-8-21(9-11-22)7-4-12-24/h2-3,5-6,24H,4,7-12H2,1H3.
What are the key properties of 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol?
3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 56788030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).