3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane

C8H16N4 — CID 145064548

IUPAC3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane
SMILESCC.CC/C=C\c1nncn1N
InChIInChI=1S/C6H10N4.C2H6/c1-2-3-4-6-9-8-5-10(6)7;1-2/h3-5H,2,7H2,1H3;1-2H3/b4-3-;
InChIKeyVWQYORGJCOCILK-LNKPDPKZSA-N
MW168.24 g/mol
LogP1.44
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane

3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane (PubChem CID 145064548) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane
PubChem CID145064548
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane
SMILESCC.CC/C=C\c1nncn1N
InChIInChI=1S/C6H10N4.C2H6/c1-2-3-4-6-9-8-5-10(6)7;1-2/h3-5H,2,7H2,1H3;1-2H3/b4-3-;
InChIKeyVWQYORGJCOCILK-LNKPDPKZSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455
5-heptadec-1-enyl-1H-1,2,4-triazole
CID 130199832
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
(Z)-N-ethyl-1-(5-ethyl-1,2,4-triazol-1-yl)but-2-en-1-imine
CID 132109342
5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
CID 142875349
5,6-Dihydro-[1,2,4]triazolo[4,3-a]pyridine;ethane
CID 142875419
N-[3-[(Z)-but-1-enyl]-1,2,4-triazol-4-yl]methanimine;ethane
CID 142875433
ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 142875440
ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene
CID 143371364

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane?
The IUPAC name of 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane (CID 145064548) is 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane?
The canonical SMILES for 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane is CC.CC/C=C\c1nncn1N.
What is the InChIKey of 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane?
The InChIKey is VWQYORGJCOCILK-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H10N4.C2H6/c1-2-3-4-6-9-8-5-10(6)7;1-2/h3-5H,2,7H2,1H3;1-2H3/b4-3-;.
What are the key properties of 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane?
3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane has a molecular weight of 168.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane is sourced from PubChem (CID 145064548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).