7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H16N6 — CID 82557096

IUPAC7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2n(n1)CCC(c1cnn(-c3ccccc3)c1)C2
InChIInChI=1S/C15H16N6/c16-15-18-14-8-11(6-7-20(14)19-15)12-9-17-21(10-12)13-4-2-1-3-5-13/h1-5,9-11H,6-8H2,(H2,16,19)
InChIKeyRZUPHLHAKIRXLY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.78
Rot. Bonds2

About 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557096) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557096
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2n(n1)CCC(c1cnn(-c3ccccc3)c1)C2
InChIInChI=1S/C15H16N6/c16-15-18-14-8-11(6-7-20(14)19-15)12-9-17-21(10-12)13-4-2-1-3-5-13/h1-5,9-11H,6-8H2,(H2,16,19)
InChIKeyRZUPHLHAKIRXLY-UHFFFAOYSA-N
XLogP1.78
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557096) is 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2n(n1)CCC(c1cnn(-c3ccccc3)c1)C2.
What is the InChIKey of 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RZUPHLHAKIRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-15-18-14-8-11(6-7-20(14)19-15)12-9-17-21(10-12)13-4-2-1-3-5-13/h1-5,9-11H,6-8H2,(H2,16,19).
What are the key properties of 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).