[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol

C13H18N6O — CID 45167810

IUPAC[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(c3ncccn3)C2)nn1
InChIInChI=1S/C13H18N6O/c20-10-12-9-19(17-16-12)8-11-3-1-6-18(7-11)13-14-4-2-5-15-13/h2,4-5,9,11,20H,1,3,6-8,10H2
InChIKeyHACQKCWQEVOPPB-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.48
Rot. Bonds4

About [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol

[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol (PubChem CID 45167810) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol
PubChem CID45167810
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(c3ncccn3)C2)nn1
InChIInChI=1S/C13H18N6O/c20-10-12-9-19(17-16-12)8-11-3-1-6-18(7-11)13-14-4-2-5-15-13/h2,4-5,9,11,20H,1,3,6-8,10H2
InChIKeyHACQKCWQEVOPPB-UHFFFAOYSA-N
XLogP0.48
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 29105639
1-(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 45211277
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164641682
(2-(1-(5-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)-2H-1,2,3-triazol-4-yl)methanol
CID 57708393
(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
(1R)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
CID 28697366
(1S)-1-[1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]triazol-4-yl]ethanol
CID 28697367
1-(1-{1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)ethanol
CID 45234626
[1-[[1-[(2-Ethylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887854
[1-({1-[(1-ethyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28732816
1-[(1-{[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]piperidin-3-ol
CID 45206422

Frequently Asked Questions

What is the IUPAC name of [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol (CID 45167810) is [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol is OCc1cn(CC2CCCN(c3ncccn3)C2)nn1.
What is the InChIKey of [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol?
The InChIKey is HACQKCWQEVOPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c20-10-12-9-19(17-16-12)8-11-3-1-6-18(7-11)13-14-4-2-5-15-13/h2,4-5,9,11,20H,1,3,6-8,10H2.
What are the key properties of [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol?
[1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol has a molecular weight of 274.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 45167810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).