2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole

C6H5N9 — CID 141046170

IUPAC2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole
SMILESc1cn(-n2ncc(-c3ncn[nH]3)n2)nn1
InChIInChI=1S/C6H5N9/c1-2-14(13-8-1)15-10-3-5(12-15)6-7-4-9-11-6/h1-4H,(H,7,9,11)
InChIKeyDDPCLPKRQKICBN-UHFFFAOYSA-N
MW203.17 g/mol
LogP-1.03
Rot. Bonds2

About 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole

2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole (PubChem CID 141046170) has the molecular formula C6H5N9 and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole.

Molecular Properties

Compound Name2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole
PubChem CID141046170
Molecular FormulaC6H5N9
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole
SMILESc1cn(-n2ncc(-c3ncn[nH]3)n2)nn1
InChIInChI=1S/C6H5N9/c1-2-14(13-8-1)15-10-3-5(12-15)6-7-4-9-11-6/h1-4H,(H,7,9,11)
InChIKeyDDPCLPKRQKICBN-UHFFFAOYSA-N
XLogP-1.03
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole?
The IUPAC name of 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole (CID 141046170) is 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole.
What is the SMILES notation for 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole?
The canonical SMILES for 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole is c1cn(-n2ncc(-c3ncn[nH]3)n2)nn1.
What is the InChIKey of 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole?
The InChIKey is DDPCLPKRQKICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N9/c1-2-14(13-8-1)15-10-3-5(12-15)6-7-4-9-11-6/h1-4H,(H,7,9,11).
What are the key properties of 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole?
2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole has a molecular weight of 203.17 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole is sourced from PubChem (CID 141046170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).