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

C8H10N6 — CID 13295575

IUPAC1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole
SMILESC=C(Cn1cncn1)Cn1cncn1
InChIInChI=1S/C8H10N6/c1-8(2-13-6-9-4-11-13)3-14-7-10-5-12-14/h4-7H,1-3H2
InChIKeyILIKOIQXLQJAJN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.13
Rot. Bonds4

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

1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole (PubChem CID 13295575) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole
PubChem CID13295575
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole
SMILESC=C(Cn1cncn1)Cn1cncn1
InChIInChI=1S/C8H10N6/c1-8(2-13-6-9-4-11-13)3-14-7-10-5-12-14/h4-7H,1-3H2
InChIKeyILIKOIQXLQJAJN-UHFFFAOYSA-N
XLogP0.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Di(1H-1,2,4-triazole-1-yl)propane
CID 15877518
1,1'-(1,4-Butanediyl)bis(1H-1,2,4-triazole)
CID 15877519
Bqrjeqicvjyagg-xnwczrbmsa-
CID 13133628
1-[1-(1,2,4-Triazol-1-yl)butyl]-1,2,4-triazole
CID 3746523
1-(2-Methylprop-2-enyl)-1,2,4-triazole
CID 13133624
1-[3-(1,2,4-Triazol-4-yl)propyl]-1,2,4-triazole
CID 101427668
1-[2,2-Dimethyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 162461311
1-[2-Methyl-1-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 3758014
4-Prop-2-enyl-1-[(4-prop-2-enyl-1,2,4-triazol-4-ium-1-yl)methyl]-1,2,4-triazol-4-ium
CID 11143668
2-(1,2,4-Triazol-1-ylmethyl)prop-2-en-1-amine
CID 103071546
N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
CID 130615032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole (CID 13295575) is 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole is C=C(Cn1cncn1)Cn1cncn1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole?
The InChIKey is ILIKOIQXLQJAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-8(2-13-6-9-4-11-13)3-14-7-10-5-12-14/h4-7H,1-3H2.
What are the key properties of 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole?
1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole has a molecular weight of 190.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-ylmethyl)prop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 13295575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).