3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol

C10H14N4O — CID 4885555

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
SMILESCc1cc(C)n2nc(CCCO)nc2n1
InChIInChI=1S/C10H14N4O/c1-7-6-8(2)14-10(11-7)12-9(13-14)4-3-5-15/h6,15H,3-5H2,1-2H3
InChIKeyHNSUEZTWRUXEHD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.67
Rot. Bonds3

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol (PubChem CID 4885555) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
PubChem CID4885555
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol
SMILESCc1cc(C)n2nc(CCCO)nc2n1
InChIInChI=1S/C10H14N4O/c1-7-6-8(2)14-10(11-7)12-9(13-14)4-3-5-15/h6,15H,3-5H2,1-2H3
InChIKeyHNSUEZTWRUXEHD-UHFFFAOYSA-N
XLogP0.67
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol (CID 4885555) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol is Cc1cc(C)n2nc(CCCO)nc2n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
The InChIKey is HNSUEZTWRUXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-6-8(2)14-10(11-7)12-9(13-14)4-3-5-15/h6,15H,3-5H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol has a molecular weight of 206.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-ol is sourced from PubChem (CID 4885555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).