2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C14H17N5O — CID 136839729

IUPAC2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cncc(C2CCNc3nc(C4CCCO4)nn32)c1
InChIInChI=1S/C14H17N5O/c1-3-10(9-15-6-1)11-5-7-16-14-17-13(18-19(11)14)12-4-2-8-20-12/h1,3,6,9,11-12H,2,4-5,7-8H2,(H,16,17,18)
InChIKeyZZKKXDTZJGIEGM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.93
Rot. Bonds2

About 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839729) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839729
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cncc(C2CCNc3nc(C4CCCO4)nn32)c1
InChIInChI=1S/C14H17N5O/c1-3-10(9-15-6-1)11-5-7-16-14-17-13(18-19(11)14)12-4-2-8-20-12/h1,3,6,9,11-12H,2,4-5,7-8H2,(H,16,17,18)
InChIKeyZZKKXDTZJGIEGM-UHFFFAOYSA-N
XLogP1.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(1-methylpyrazol-4-yl)-2-(oxolan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839709
2-methyl-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840710
methyl 7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775723
2-pyridin-3-yl-1,3-oxazinane
CID 14893319
7-pyridin-3-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838184
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
2-cyclobutyl-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840548
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839729) is 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1cncc(C2CCNc3nc(C4CCCO4)nn32)c1.
What is the InChIKey of 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZZKKXDTZJGIEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-10(9-15-6-1)11-5-7-16-14-17-13(18-19(11)14)12-4-2-8-20-12/h1,3,6,9,11-12H,2,4-5,7-8H2,(H,16,17,18).
What are the key properties of 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).