5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C17H21N5 — CID 27791941

IUPAC5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(N3C[C@H](C)C[C@H](C)C3)n2n1
InChIInChI=1S/C17H21N5/c1-11-8-12(2)10-21(9-11)17-19-15-7-5-4-6-14(15)16-18-13(3)20-22(16)17/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKeyUGZQTNDHKVREAI-TXEJJXNPSA-N
MW295.39 g/mol
LogP3.07
Rot. Bonds1

About 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 27791941) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID27791941
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(N3C[C@H](C)C[C@H](C)C3)n2n1
InChIInChI=1S/C17H21N5/c1-11-8-12(2)10-21(9-11)17-19-15-7-5-4-6-14(15)16-18-13(3)20-22(16)17/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKeyUGZQTNDHKVREAI-TXEJJXNPSA-N
XLogP3.07
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

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Related Compounds

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-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553341
3-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]propan-1-ol
CID 56788030
5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 56575856
2-methyl-5-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58208554
N-cycloheptyl-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56553711
(4-ethylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56575191
1-[3-fluoro-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]phenyl]ethanone
CID 56553992
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
(3-fluoro-4-methylphenyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 56574130
6-(3,5-dimethylpiperidin-1-yl)-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 21283349
(2R)-4-ethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]morpholine
CID 94815123

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 27791941) is 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(N3C[C@H](C)C[C@H](C)C3)n2n1.
What is the InChIKey of 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is UGZQTNDHKVREAI-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H21N5/c1-11-8-12(2)10-21(9-11)17-19-15-7-5-4-6-14(15)16-18-13(3)20-22(16)17/h4-7,11-12H,8-10H2,1-3H3/t11-,12+.
What are the key properties of 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 295.39 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 27791941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).