2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine

C13H18N6O — CID 167869705

IUPAC2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine
SMILESc1cnc(OCc2cn(CC3CCCNC3)nn2)nc1
InChIInChI=1S/C13H18N6O/c1-3-11(7-14-4-1)8-19-9-12(17-18-19)10-20-13-15-5-2-6-16-13/h2,5-6,9,11,14H,1,3-4,7-8,10H2
InChIKeyXCHQCUZBZQCVSA-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.65
Rot. Bonds5

About 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine

2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 167869705) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID167869705
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine
SMILESc1cnc(OCc2cn(CC3CCCNC3)nn2)nc1
InChIInChI=1S/C13H18N6O/c1-3-11(7-14-4-1)8-19-9-12(17-18-19)10-20-13-15-5-2-6-16-13/h2,5-6,9,11,14H,1,3-4,7-8,10H2
InChIKeyXCHQCUZBZQCVSA-UHFFFAOYSA-N
XLogP0.65
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine (CID 167869705) is 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine is c1cnc(OCc2cn(CC3CCCNC3)nn2)nc1.
What is the InChIKey of 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is XCHQCUZBZQCVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-11(7-14-4-1)8-19-9-12(17-18-19)10-20-13-15-5-2-6-16-13/h2,5-6,9,11,14H,1,3-4,7-8,10H2.
What are the key properties of 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine?
2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 167869705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).