7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C18H19N5 — CID 2947181

IUPAC7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1
InChIInChI=1S/C18H19N5/c1-12-6-5-9-14(10-12)16-11-15(13-7-3-2-4-8-13)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22)
InChIKeyCIGUFOPAGOLZBZ-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.32
Rot. Bonds2

About 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 2947181) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID2947181
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1
InChIInChI=1S/C18H19N5/c1-12-6-5-9-14(10-12)16-11-15(13-7-3-2-4-8-13)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22)
InChIKeyCIGUFOPAGOLZBZ-UHFFFAOYSA-N
XLogP3.32
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

5-(4-Methylphenyl)-7-phenyl-4,7-dihydro(1,2,4)triazolo(1,5-A)pyrimidine
CID 3803996
(5s,7r)-5,7-Bis(3-Bromophenyl)-4,5,6,7-Tetrahydrotetrazolo[1,5-A]pyrimidine
CID 136075559
5,7-Diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 598916
5,7-Bis(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 663132
7-(4-Ethylphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3794549
(5E)-5-benzylidene-9-phenyl-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
CID 135512338
(5S,7R)-5-(3-bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 1278684
5-(3-Bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3236829
5-methyl-7-phenyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3697075
5,7-Bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135732822
N-(5,7-diphenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanesulfonamide
CID 3796055
[1,2,4]Triazolo[1,5-a]pyrimidine, 1,7-dihydro-5,7-diphenyl-
CID 607424

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 2947181) is 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1.
What is the InChIKey of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is CIGUFOPAGOLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-6-5-9-14(10-12)16-11-15(13-7-3-2-4-8-13)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22).
What are the key properties of 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 2947181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).