1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine

C25H21N7 — CID 46927620

IUPAC1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4nc(-c5cnccn5)nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C25H21N7/c26-25(11-4-12-25)19-9-7-18(8-10-19)22-20(17-5-2-1-3-6-17)16-32-24(29-22)30-23(31-32)21-15-27-13-14-28-21/h1-3,5-10,13-16H,4,11-12,26H2
InChIKeyNBAGAMREDHIMJI-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.25
Rot. Bonds4

About 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine

1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine (PubChem CID 46927620) has the molecular formula C25H21N7 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
PubChem CID46927620
Molecular FormulaC25H21N7
Molecular Weight419.49 g/mol
Exact Mass419.19
IUPAC Name1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4nc(-c5cnccn5)nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C25H21N7/c26-25(11-4-12-25)19-9-7-18(8-10-19)22-20(17-5-2-1-3-6-17)16-32-24(29-22)30-23(31-32)21-15-27-13-14-28-21/h1-3,5-10,13-16H,4,11-12,26H2
InChIKeyNBAGAMREDHIMJI-UHFFFAOYSA-N
XLogP4.25
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-phenoxy-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
CID 46927471
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
1-[4-[2-(3-methoxypropyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclobutan-1-amine
CID 147220702
7-[4-(1-aminocyclobutyl)phenyl]-6-phenylimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 46927162
5-[4-(1-aminocyclobutyl)phenyl]-N-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 56602593
N-[5-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclopropanecarboxamide
CID 46927544
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249
1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
CID 57378515
1-[4-[3-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]phenyl]cyclobutan-1-amine
CID 56602592
1-[4-[10-(4-methylphenyl)-3-phenylpyrimido[1,2-b]indazol-2-yl]phenyl]cyclobutan-1-amine
CID 57378412
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazole-7-carboxylic acid
CID 118221665

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine (CID 46927620) is 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4nc(-c5cnccn5)nn4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine?
The InChIKey is NBAGAMREDHIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7/c26-25(11-4-12-25)19-9-7-18(8-10-19)22-20(17-5-2-1-3-6-17)16-32-24(29-22)30-23(31-32)21-15-27-13-14-28-21/h1-3,5-10,13-16H,4,11-12,26H2.
What are the key properties of 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine?
1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine has a molecular weight of 419.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 46927620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).