[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol

C15H21N5O — CID 175986389

IUPAC[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol
SMILESCc1nc(-c2nnn(C)c2CO)ccc1N1CCCCC1
InChIInChI=1S/C15H21N5O/c1-11-13(20-8-4-3-5-9-20)7-6-12(16-11)15-14(10-21)19(2)18-17-15/h6-7,21H,3-5,8-10H2,1-2H3
InChIKeyUFNVKBRDHPPNSQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.67
Rot. Bonds3

About [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol

[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol (PubChem CID 175986389) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol
PubChem CID175986389
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol
SMILESCc1nc(-c2nnn(C)c2CO)ccc1N1CCCCC1
InChIInChI=1S/C15H21N5O/c1-11-13(20-8-4-3-5-9-20)7-6-12(16-11)15-14(10-21)19(2)18-17-15/h6-7,21H,3-5,8-10H2,1-2H3
InChIKeyUFNVKBRDHPPNSQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-bromo-6-methylpyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl]methanol
CID 132250431
[5-(5-Fluoro-pyridin-2-yl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67499018
[5-(5-Fluoro-pyridin-2-yl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67499388
[3-Methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]triazol-4-yl]methanol
CID 157046480
(4-(5-(Difluoromethyl)pyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 162723293
methyl 2-[(3S)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]-5,5-difluoropiperidin-3-yl]acetate
CID 162729709
ethyl 2-[(3R)-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]acetate
CID 162729754
methyl 2-[(3S)-5,5-difluoro-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetate
CID 163735873
Ethyl 2-[1-[4-fluoro-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetate
CID 169096055
ethyl 2-[(3R)-1-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 169096113
Ethyl 2-[1-[2-ethyl-4-fluoro-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 169096230
tert-butyl 2-[(3S)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]-5,5-difluoropiperidin-3-yl]acetate
CID 170742076

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol (CID 175986389) is [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol is Cc1nc(-c2nnn(C)c2CO)ccc1N1CCCCC1.
What is the InChIKey of [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol?
The InChIKey is UFNVKBRDHPPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-13(20-8-4-3-5-9-20)7-6-12(16-11)15-14(10-21)19(2)18-17-15/h6-7,21H,3-5,8-10H2,1-2H3.
What are the key properties of [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol?
[3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol has a molecular weight of 287.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(6-methyl-5-piperidin-1-yl-2-pyridinyl)triazol-4-yl]methanol is sourced from PubChem (CID 175986389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).