1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine

C14H11N7 — CID 43479093

IUPAC1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
SMILESNc1c(-c2nnc3cnccn23)cnn1-c1ccccc1
InChIInChI=1S/C14H11N7/c15-13-11(8-17-21(13)10-4-2-1-3-5-10)14-19-18-12-9-16-6-7-20(12)14/h1-9H,15H2
InChIKeyRTVMTOPNIGOJLB-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.56
Rot. Bonds2

About 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine

1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine (PubChem CID 43479093) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
PubChem CID43479093
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
SMILESNc1c(-c2nnc3cnccn23)cnn1-c1ccccc1
InChIInChI=1S/C14H11N7/c15-13-11(8-17-21(13)10-4-2-1-3-5-10)14-19-18-12-9-16-6-7-20(12)14/h1-9H,15H2
InChIKeyRTVMTOPNIGOJLB-UHFFFAOYSA-N
XLogP1.56
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 115945507
5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 113305042
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 67251777
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride
CID 126456710
2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 54924540
1-[3-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)indol-1-yl]ethanone
CID 39754047
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
N-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)aniline
CID 54924493
4-(5-amino-4-phenylpyrazol-1-yl)benzoate
CID 6979898

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine?
The IUPAC name of 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine (CID 43479093) is 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine is Nc1c(-c2nnc3cnccn23)cnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine?
The InChIKey is RTVMTOPNIGOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-13-11(8-17-21(13)10-4-2-1-3-5-10)14-19-18-12-9-16-6-7-20(12)14/h1-9H,15H2.
What are the key properties of 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine?
1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine has a molecular weight of 277.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43479093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).