7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine

C11H11N5 — CID 135590646

IUPAC7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNC1N=CNc2cc(-c3ccccc3)nn21
InChIInChI=1S/C11H11N5/c12-11-14-7-13-10-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14)
InChIKeyJXRMFUAALQNJOU-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.42
Rot. Bonds1

About 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine

7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 135590646) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID135590646
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESNC1N=CNc2cc(-c3ccccc3)nn21
InChIInChI=1S/C11H11N5/c12-11-14-7-13-10-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14)
InChIKeyJXRMFUAALQNJOU-UHFFFAOYSA-N
XLogP1.42
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-amine
CID 136921508
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709454
7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709452
7-(oxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709469
2-phenyl-7-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709464
2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CID 137182918
7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709468
(2'S,3R)-2-oxo-6-phenylspiro[1H-imidazo[2,1-e]pyrazole-3,4'-pyrrolidine]-2'-carboxamide
CID 171733186
4-(3,5-diphenylpyrazol-1-yl)-1-methylpiperidine
CID 59007278
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 135590646) is 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine is NC1N=CNc2cc(-c3ccccc3)nn21.
What is the InChIKey of 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is JXRMFUAALQNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-11-14-7-13-10-6-9(15-16(10)11)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14).
What are the key properties of 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine?
7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 213.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,4-dihydropyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 135590646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).