6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C14H18N4 — CID 136839987

IUPAC6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C14H18N4/c1-10(2)13-16-14-15-8-12(9-18(14)17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyXLSPMIXTNDMGAA-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.61
Rot. Bonds2

About 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839987) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839987
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C14H18N4/c1-10(2)13-16-14-15-8-12(9-18(14)17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyXLSPMIXTNDMGAA-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiophen-2-yl)-6-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839457
2-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710373
2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841050
2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838851
3-bromo-2-tert-butyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839419
2-[6-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 136688065
6-(4-methylphenyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839778
3-phenyl-1-propan-2-ylazetidine
CID 23628
2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137012133
(5S,7S)-7-fluoro-5-phenyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138605517
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 124625386

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839987) is 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1nc2n(n1)CC(c1ccccc1)CN2.
What is the InChIKey of 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XLSPMIXTNDMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)13-16-14-15-8-12(9-18(14)17-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).