1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol

C16H20N6O — CID 126825652

IUPAC1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cc2cn(Cc3cn4cccnc4n3)nn2)CCCCC1
InChIInChI=1S/C16H20N6O/c23-16(5-2-1-3-6-16)9-13-11-22(20-19-13)12-14-10-21-8-4-7-17-15(21)18-14/h4,7-8,10-11,23H,1-3,5-6,9,12H2
InChIKeyBMENDXWARTVPCR-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.61
Rot. Bonds4

About 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol

1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol (PubChem CID 126825652) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol
PubChem CID126825652
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol
SMILESOC1(Cc2cn(Cc3cn4cccnc4n3)nn2)CCCCC1
InChIInChI=1S/C16H20N6O/c23-16(5-2-1-3-6-16)9-13-11-22(20-19-13)12-14-10-21-8-4-7-17-15(21)18-14/h4,7-8,10-11,23H,1-3,5-6,9,12H2
InChIKeyBMENDXWARTVPCR-UHFFFAOYSA-N
XLogP1.61
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol (CID 126825652) is 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol is OC1(Cc2cn(Cc3cn4cccnc4n3)nn2)CCCCC1.
What is the InChIKey of 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is BMENDXWARTVPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(5-2-1-3-6-16)9-13-11-22(20-19-13)12-14-10-21-8-4-7-17-15(21)18-14/h4,7-8,10-11,23H,1-3,5-6,9,12H2.
What are the key properties of 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol?
1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 312.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126825652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).