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

C15H18N6O — CID 126825656

IUPAC1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(Cc3cn4cccnc4n3)nn2)CCCCC1
InChIInChI=1S/C15H18N6O/c22-15(5-2-1-3-6-15)13-11-21(19-18-13)10-12-9-20-8-4-7-16-14(20)17-12/h4,7-9,11,22H,1-3,5-6,10H2
InChIKeyCENMVSYPCCNLCN-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.52
Rot. Bonds3

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

1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol (PubChem CID 126825656) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol
PubChem CID126825656
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(Cc3cn4cccnc4n3)nn2)CCCCC1
InChIInChI=1S/C15H18N6O/c22-15(5-2-1-3-6-15)13-11-21(19-18-13)10-12-9-20-8-4-7-16-14(20)17-12/h4,7-9,11,22H,1-3,5-6,10H2
InChIKeyCENMVSYPCCNLCN-UHFFFAOYSA-N
XLogP1.52
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.52
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]cyclohexan-1-ol?
The IUPAC name of 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol (CID 126825656) is 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol is OC1(c2cn(Cc3cn4cccnc4n3)nn2)CCCCC1.
What is the InChIKey of 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol?
The InChIKey is CENMVSYPCCNLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(5-2-1-3-6-15)13-11-21(19-18-13)10-12-9-20-8-4-7-16-14(20)17-12/h4,7-9,11,22H,1-3,5-6,10H2.
What are the key properties of 1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol?
1-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]cyclohexan-1-ol has a molecular weight of 298.35 g/mol, XLogP of 1.52, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 126825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).