2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine

C22H20N10 — CID 166216423

IUPAC2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
SMILESc1cc(CNc2nccnc2NCc2cccc(-n3cncn3)c2)cc(-n2cncn2)c1
InChIInChI=1S/C22H20N10/c1-3-17(9-19(5-1)31-15-23-13-29-31)11-27-21-22(26-8-7-25-21)28-12-18-4-2-6-20(10-18)32-16-24-14-30-32/h1-10,13-16H,11-12H2,(H,25,27)(H,26,28)
InChIKeyMJKUVXBAJCSDJJ-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.86
Rot. Bonds8

About 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine

2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine (PubChem CID 166216423) has the molecular formula C22H20N10 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
PubChem CID166216423
Molecular FormulaC22H20N10
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC Name2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
SMILESc1cc(CNc2nccnc2NCc2cccc(-n3cncn3)c2)cc(-n2cncn2)c1
InChIInChI=1S/C22H20N10/c1-3-17(9-19(5-1)31-15-23-13-29-31)11-27-21-22(26-8-7-25-21)28-12-18-4-2-6-20(10-18)32-16-24-14-30-32/h1-10,13-16H,11-12H2,(H,25,27)(H,26,28)
InChIKeyMJKUVXBAJCSDJJ-UHFFFAOYSA-N
XLogP2.86
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine (CID 166216423) is 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine is c1cc(CNc2nccnc2NCc2cccc(-n3cncn3)c2)cc(-n2cncn2)c1.
What is the InChIKey of 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine?
The InChIKey is MJKUVXBAJCSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N10/c1-3-17(9-19(5-1)31-15-23-13-29-31)11-27-21-22(26-8-7-25-21)28-12-18-4-2-6-20(10-18)32-16-24-14-30-32/h1-10,13-16H,11-12H2,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine?
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine has a molecular weight of 424.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 166216423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).