(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone

C17H21N7O — CID 136699862

IUPAC(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccncc2)n2ncnc2N1
InChIInChI=1S/C17H21N7O/c1-12-14(16(25)23-9-7-22(2)8-10-23)15(13-3-5-18-6-4-13)24-17(21-12)19-11-20-24/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyIHNVNDKWYHTSKZ-HNNXBMFYSA-N
MW339.40 g/mol
LogP0.74
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone

(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 136699862) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID136699862
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccncc2)n2ncnc2N1
InChIInChI=1S/C17H21N7O/c1-12-14(16(25)23-9-7-22(2)8-10-23)15(13-3-5-18-6-4-13)24-17(21-12)19-11-20-24/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyIHNVNDKWYHTSKZ-HNNXBMFYSA-N
XLogP0.74
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

[(7R)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 136699847
[(7R)-5-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 136699873
[(7R)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135880701
(4-benzylpiperazin-1-yl)-[(7S)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
CID 137155426
[(7S)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 137090300
[7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4973092
N-(4-fluorophenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4686993
(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 135616344
(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 135616316
[(7S)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 136902276
[(7R)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 136902277
4-[(7S)-6-methoxycarbonyl-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 725556

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone (CID 136699862) is (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone is CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccncc2)n2ncnc2N1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is IHNVNDKWYHTSKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-14(16(25)23-9-7-22(2)8-10-23)15(13-3-5-18-6-4-13)24-17(21-12)19-11-20-24/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone?
(4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(7S)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 136699862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).