[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol

C16H22N4O — CID 97153137

IUPAC[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CC2CC2)CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4O/c21-12-16(10-13-5-6-13)7-3-8-19(11-16)15-18-17-14-4-1-2-9-20(14)15/h1-2,4,9,13,21H,3,5-8,10-12H2/t16-/m1/s1
InChIKeyGZQNXCONMBPWNG-MRXNPFEDSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds4

About [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol

[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol (PubChem CID 97153137) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
PubChem CID97153137
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CC2CC2)CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4O/c21-12-16(10-13-5-6-13)7-3-8-19(11-16)15-18-17-14-4-1-2-9-20(14)15/h1-2,4,9,13,21H,3,5-8,10-12H2/t16-/m1/s1
InChIKeyGZQNXCONMBPWNG-MRXNPFEDSA-N
XLogP2.11
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol with MolForge

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Related Compounds

1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188426
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
CID 162630814
[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
CID 97130526
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 126453864
[(2S)-1-methylpyrrolidin-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808781
[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
CID 97122572
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 121283686
(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974341

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol (CID 97153137) is [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol is OC[C@@]1(CC2CC2)CCCN(c2nnc3ccccn23)C1.
What is the InChIKey of [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
The InChIKey is GZQNXCONMBPWNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O/c21-12-16(10-13-5-6-13)7-3-8-19(11-16)15-18-17-14-4-1-2-9-20(14)15/h1-2,4,9,13,21H,3,5-8,10-12H2/t16-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol?
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97153137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).