7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H18N4 — CID 136709535

IUPAC7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nc3n(n2)C(C2CC2)CCN3)cc1
InChIInChI=1S/C15H18N4/c1-10-2-4-12(5-3-10)14-17-15-16-9-8-13(11-6-7-11)19(15)18-14/h2-5,11,13H,6-9H2,1H3,(H,16,17,18)
InChIKeyOEZIPDQSAOACPX-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.02
Rot. Bonds2

About 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709535) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709535
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nc3n(n2)C(C2CC2)CCN3)cc1
InChIInChI=1S/C15H18N4/c1-10-2-4-12(5-3-10)14-17-15-16-9-8-13(11-6-7-11)19(15)18-14/h2-5,11,13H,6-9H2,1H3,(H,16,17,18)
InChIKeyOEZIPDQSAOACPX-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709519
4-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-11-yl)phenol
CID 136839574
2-pyridin-4-yl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazoline
CID 136840218
7-(2-methylpyrazol-3-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136847658
7-(1-methylcyclopropyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840169
7-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839474
7-(4-methylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709344
2-(3-chlorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839688
7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136775701
methyl 7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775739
7-piperidin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840288
5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839837

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709535) is 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(-c2nc3n(n2)C(C2CC2)CCN3)cc1.
What is the InChIKey of 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OEZIPDQSAOACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-2-4-12(5-3-10)14-17-15-16-9-8-13(11-6-7-11)19(15)18-14/h2-5,11,13H,6-9H2,1H3,(H,16,17,18).
What are the key properties of 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).