1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole

C10H8N6 — CID 71751577

IUPAC1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
SMILESc1cc(-[15n]2cnc[15n]2)cc(-[15n]2cnc[15n]2)c1
InChIInChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H/i13+1,14+1,15+1,16+1
InChIKeyWXNXRKYXCCDJHI-FIZPRHLTSA-N
MW216.19 g/mol
LogP0.85
Rot. Bonds2

About 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole

1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole (PubChem CID 71751577) has the molecular formula C10H8N6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole.

Molecular Properties

Compound Name1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
PubChem CID71751577
Molecular FormulaC10H8N6
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
SMILESc1cc(-[15n]2cnc[15n]2)cc(-[15n]2cnc[15n]2)c1
InChIInChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H/i13+1,14+1,15+1,16+1
InChIKeyWXNXRKYXCCDJHI-FIZPRHLTSA-N
XLogP0.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole with MolForge

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Related Compounds

3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
silver 3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324543
1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
CID 132570303
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291048
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
CID 117329120
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63943267
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
4-[3-(1,2,4-triazol-1-yl)phenyl]butanoic acid
CID 117334098
1-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-1,2,4-triazole
CID 166214261

Frequently Asked Questions

What is the IUPAC name of 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole?
The IUPAC name of 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole (CID 71751577) is 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole.
What is the SMILES notation for 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole?
The canonical SMILES for 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole is c1cc(-[15n]2cnc[15n]2)cc(-[15n]2cnc[15n]2)c1.
What is the InChIKey of 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole?
The InChIKey is WXNXRKYXCCDJHI-FIZPRHLTSA-N. The full InChI is InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H/i13+1,14+1,15+1,16+1.
What are the key properties of 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole?
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole has a molecular weight of 216.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole is sourced from PubChem (CID 71751577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).