8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C13H10N8 — CID 66490700

IUPAC8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ncn[nH]2)nnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C13H10N8/c14-11-10(12-15-7-16-19-12)18-20-13-9(6-17-21(11)13)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16,19)
InChIKeyZLBCVYPHRUQAIR-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.16
Rot. Bonds2

About 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66490700) has the molecular formula C13H10N8 and a molecular weight of 278.28 g/mol. Its IUPAC name is 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66490700
Molecular FormulaC13H10N8
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ncn[nH]2)nnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C13H10N8/c14-11-10(12-15-7-16-19-12)18-20-13-9(6-17-21(11)13)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16,19)
InChIKeyZLBCVYPHRUQAIR-UHFFFAOYSA-N
XLogP1.16
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490709
3-(3-methoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490703
3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 118592250
5-(2-phenylphenyl)-1H-1,2,4-triazole
CID 141114745
1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
CID 173185148
10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
CID 66485234
5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-amine
CID 56763446
3-[4-(dimethylamino)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 174501483
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 30033155
7-amino-3-(6-phenyl-3-pyridinyl)-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 67294968
7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 105481983

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66490700) is 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is Nc1c(-c2ncn[nH]2)nnc2c(-c3ccccc3)cnn12.
What is the InChIKey of 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is ZLBCVYPHRUQAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8/c14-11-10(12-15-7-16-19-12)18-20-13-9(6-17-21(11)13)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16,19).
What are the key properties of 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66490700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).