1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol

C15H19N7O — CID 167850598

IUPAC1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2cnc3cnccn23)C1
InChIInChI=1S/C15H19N7O/c23-15(12-21-6-4-18-19-21)2-1-5-20(11-15)10-13-8-17-14-9-16-3-7-22(13)14/h3-4,6-9,23H,1-2,5,10-12H2
InChIKeyBJXHBLRROGXJLB-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.35
Rot. Bonds4

About 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 167850598) has the molecular formula C15H19N7O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID167850598
Molecular FormulaC15H19N7O
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2cnc3cnccn23)C1
InChIInChI=1S/C15H19N7O/c23-15(12-21-6-4-18-19-21)2-1-5-20(11-15)10-13-8-17-14-9-16-3-7-22(13)14/h3-4,6-9,23H,1-2,5,10-12H2
InChIKeyBJXHBLRROGXJLB-UHFFFAOYSA-N
XLogP0.35
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756737
1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 128979303
1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154745336
1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756604
1-(triazol-1-ylmethyl)cyclopropan-1-ol
CID 84648394
1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 166190800
5-chloro-2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 154736395
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 154800249
3-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 129001837
3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 128989759
(6S)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129482791

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 167850598) is 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol is OC1(Cn2ccnn2)CCCN(Cc2cnc3cnccn23)C1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is BJXHBLRROGXJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c23-15(12-21-6-4-18-19-21)2-1-5-20(11-15)10-13-8-17-14-9-16-3-7-22(13)14/h3-4,6-9,23H,1-2,5,10-12H2.
What are the key properties of 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 313.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 167850598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).