1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole

C7H8N6 — CID 10749776

IUPAC1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
SMILESCC=C(n1cncn1)n1cncn1
InChIInChI=1S/C7H8N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h2-6H,1H3
InChIKeyOEBULJHRWOYKLP-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.05
Rot. Bonds2

About 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole

1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole (PubChem CID 10749776) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
PubChem CID10749776
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
SMILESCC=C(n1cncn1)n1cncn1
InChIInChI=1S/C7H8N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h2-6H,1H3
InChIKeyOEBULJHRWOYKLP-UHFFFAOYSA-N
XLogP0.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-chloroprop-1-enyl)-1,2,4-triazol-3-yl]methanimine
CID 123838449
Ethane;1-[1-(1,2,4-triazol-1-yl)but-1-enyl]-1,2,4-triazole
CID 145406815
1-[1-(1,2,4-Triazol-1-yl)ethenyl]-1,2,4-triazole
CID 162701152
1-[2-Methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
CID 10655290
1-[1-(1,2,4-Triazol-1-yl)but-1-enyl]-1,2,4-triazole
CID 10821506
1-[(Z)-prop-1-enyl]-1,2,4-triazole;1-[(E)-prop-1-enyl]-1,2,4-triazole
CID 44889687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole (CID 10749776) is 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole is CC=C(n1cncn1)n1cncn1.
What is the InChIKey of 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The InChIKey is OEBULJHRWOYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-2-7(12-5-8-3-10-12)13-6-9-4-11-13/h2-6H,1H3.
What are the key properties of 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole has a molecular weight of 176.18 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 10749776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).