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

C13H20N4O — CID 136839761

IUPAC7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3nc(C4CCOC4)nn32)CC1
InChIInChI=1S/C13H20N4O/c1-13(4-5-13)10-2-6-14-12-15-11(16-17(10)12)9-3-7-18-8-9/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyIVIWCDJBSLWVOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.94
Rot. Bonds2

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

7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839761) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839761
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3nc(C4CCOC4)nn32)CC1
InChIInChI=1S/C13H20N4O/c1-13(4-5-13)10-2-6-14-12-15-11(16-17(10)12)9-3-7-18-8-9/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyIVIWCDJBSLWVOG-UHFFFAOYSA-N
XLogP1.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840688
7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839768
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840545
7-(1-methylcyclopropyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840169
6-(4-methylphenyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839778
4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
CID 136837693
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471
7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709454
8-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157615
N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840618

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839761) is 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1(C2CCNc3nc(C4CCOC4)nn32)CC1.
What is the InChIKey of 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IVIWCDJBSLWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(4-5-13)10-2-6-14-12-15-11(16-17(10)12)9-3-7-18-8-9/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).