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

C8H10N6 — CID 10655290

IUPAC1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
SMILESCC(C)=C(n1cncn1)n1cncn1
InChIInChI=1S/C8H10N6/c1-7(2)8(13-5-9-3-11-13)14-6-10-4-12-14/h3-6H,1-2H3
InChIKeyHQQIZDIVYPADRY-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.44
Rot. Bonds2

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

1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole (PubChem CID 10655290) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
PubChem CID10655290
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole
SMILESCC(C)=C(n1cncn1)n1cncn1
InChIInChI=1S/C8H10N6/c1-7(2)8(13-5-9-3-11-13)14-6-10-4-12-14/h3-6H,1-2H3
InChIKeyHQQIZDIVYPADRY-UHFFFAOYSA-N
XLogP0.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dibutyl-bis(1,2,4-triazol-1-yl)stannane
CID 9573424
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-[1-(1,2,4-Triazol-1-yl)prop-1-enyl]-1,2,4-triazole
CID 10749776
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-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole (CID 10655290) is 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole is CC(C)=C(n1cncn1)n1cncn1.
What is the InChIKey of 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
The InChIKey is HQQIZDIVYPADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-7(2)8(13-5-9-3-11-13)14-6-10-4-12-14/h3-6H,1-2H3.
What are the key properties of 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole?
1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole has a molecular weight of 190.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(1,2,4-triazol-1-yl)prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 10655290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).