[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

C17H21N7O — CID 154570620

IUPAC[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc2ncnc(N3CCC(c4nnc(CO)n4C)CC3)c2n1
InChIInChI=1S/C17H21N7O/c1-11-3-4-13-15(20-11)17(19-10-18-13)24-7-5-12(6-8-24)16-22-21-14(9-25)23(16)2/h3-4,10,12,25H,5-9H2,1-2H3
InChIKeyNNCZTMDAOUAJQV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds3

About [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 154570620) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID154570620
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc2ncnc(N3CCC(c4nnc(CO)n4C)CC3)c2n1
InChIInChI=1S/C17H21N7O/c1-11-3-4-13-15(20-11)17(19-10-18-13)24-7-5-12(6-8-24)16-22-21-14(9-25)23(16)2/h3-4,10,12,25H,5-9H2,1-2H3
InChIKeyNNCZTMDAOUAJQV-UHFFFAOYSA-N
XLogP1.34
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine
CID 146045939
5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
CID 154563734
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 154564940
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358
6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 146040314
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 118793945
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
4-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-6-methylpyrido[3,2-d]pyrimidine
CID 154568047
1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155501885
2-[methyl-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
CID 70774901
[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 134702676

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol (CID 154570620) is [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is Cc1ccc2ncnc(N3CCC(c4nnc(CO)n4C)CC3)c2n1.
What is the InChIKey of [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is NNCZTMDAOUAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-3-4-13-15(20-11)17(19-10-18-13)24-7-5-12(6-8-24)16-22-21-14(9-25)23(16)2/h3-4,10,12,25H,5-9H2,1-2H3.
What are the key properties of [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 339.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 154570620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).