ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

C10H17N3 — CID 145412658

IUPACethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1nc(C)nc1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-6-8-9-7(3)10-11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyVJTAJWYGNADGKW-YHSAGPEESA-N
MW179.27 g/mol
LogP2.75
Rot. Bonds2

About ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole

ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 145412658) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Nameethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID145412658
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cn1nc(C)nc1/C=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-6-8-9-7(3)10-11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;
InChIKeyVJTAJWYGNADGKW-YHSAGPEESA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
carbanide;3-methyl-8H-[1,2,4]triazolo[4,3-a]pyridin-8-ide;tungsten(2+);yttrium
CID 91867234
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 145412658) is ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cn1nc(C)nc1/C=C\C.CC.
What is the InChIKey of ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is VJTAJWYGNADGKW-YHSAGPEESA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-4-6-8-9-7(3)10-11(8)5-2;1-2/h4-6H,2H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole?
ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 145412658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).