3,5-dipyridin-3-yl-1,2,4-triazol-4-amine

C12H10N6 — CID 2768013

IUPAC3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccnc2)nnc1-c1cccnc1
InChIInChI=1S/C12H10N6/c13-18-11(9-3-1-5-14-7-9)16-17-12(18)10-4-2-6-15-8-10/h1-8H,13H2
InChIKeyYGQDWUDZQQZNSU-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.12
Rot. Bonds2

About 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine

3,5-dipyridin-3-yl-1,2,4-triazol-4-amine (PubChem CID 2768013) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
PubChem CID2768013
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccnc2)nnc1-c1cccnc1
InChIInChI=1S/C12H10N6/c13-18-11(9-3-1-5-14-7-9)16-17-12(18)10-4-2-6-15-8-10/h1-8H,13H2
InChIKeyYGQDWUDZQQZNSU-UHFFFAOYSA-N
XLogP1.12
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine (CID 2768013) is 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine is Nn1c(-c2cccnc2)nnc1-c1cccnc1.
What is the InChIKey of 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine?
The InChIKey is YGQDWUDZQQZNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-18-11(9-3-1-5-14-7-9)16-17-12(18)10-4-2-6-15-8-10/h1-8H,13H2.
What are the key properties of 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine?
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine has a molecular weight of 238.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-3-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2768013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).