(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C19H22N6O — CID 37333698

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)nc2n1
InChIInChI=1S/C19H22N6O/c1-13-11-14(2)25-19(20-13)21-17(22-25)18(26)24-10-9-23(3)12-16(24)15-7-5-4-6-8-15/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyGFBFMGUVRDHYMO-MRXNPFEDSA-N
MW350.43 g/mol
LogP1.87
Rot. Bonds2

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 37333698) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID37333698
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)nc2n1
InChIInChI=1S/C19H22N6O/c1-13-11-14(2)25-19(20-13)21-17(22-25)18(26)24-10-9-23(3)12-16(24)15-7-5-4-6-8-15/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1
InChIKeyGFBFMGUVRDHYMO-MRXNPFEDSA-N
XLogP1.87
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 32845370
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 31188652
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120738157
[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 41170098
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 56757941

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 37333698) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is GFBFMGUVRDHYMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-11-14(2)25-19(20-13)21-17(22-25)18(26)24-10-9-23(3)12-16(24)15-7-5-4-6-8-15/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 37333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).