ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene

C12H28N4 — CID 143371364

IUPACethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.CC.CC.Cc1nncn1N
InChIInChI=1S/C5H10.C3H6N4.2C2H6/c1-3-5-4-2;1-3-6-5-2-7(3)4;2*1-2/h3,5H,4H2,1-2H3;2H,4H2,1H3;2*1-2H3/b5-3-;;;
InChIKeyQFGFXJOYTOBGIK-FEMJVSHYSA-N
MW228.38 g/mol
LogP3.33
Rot. Bonds1

About ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene

ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene (PubChem CID 143371364) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene
PubChem CID143371364
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Nameethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.CC.CC.Cc1nncn1N
InChIInChI=1S/C5H10.C3H6N4.2C2H6/c1-3-5-4-2;1-3-6-5-2-7(3)4;2*1-2/h3,5H,4H2,1-2H3;2H,4H2,1H3;2*1-2H3/b5-3-;;;
InChIKeyQFGFXJOYTOBGIK-FEMJVSHYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
4-Methyl-3-pent-3-enyl-1,2,4-triazole
CID 69341903
5-pent-3-enyl-1H-1,2,4-triazole
CID 90974039
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
5-[(Z)-but-1-enyl]-1-ethenyl-1,2,4-triazole
CID 142875349
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;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene
CID 143371386
Ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene
CID 143371406
ethane;(3Z,5Z)-4-methylocta-1,3,5,7-tetraene;5-methyl-1H-1,2,4-triazole
CID 143413768
(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole
CID 143982726
ethane;(3Z)-3-methylhexa-1,3,5-triene;5-methyl-1H-1,2,4-triazole
CID 144034335

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene?
The IUPAC name of ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene (CID 143371364) is ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene.
What is the SMILES notation for ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene?
The canonical SMILES for ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene is C/C=C\CC.CC.CC.Cc1nncn1N.
What is the InChIKey of ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene?
The InChIKey is QFGFXJOYTOBGIK-FEMJVSHYSA-N. The full InChI is InChI=1S/C5H10.C3H6N4.2C2H6/c1-3-5-4-2;1-3-6-5-2-7(3)4;2*1-2/h3,5H,4H2,1-2H3;2H,4H2,1H3;2*1-2H3/b5-3-;;;.
What are the key properties of ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene?
ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene has a molecular weight of 228.38 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene is sourced from PubChem (CID 143371364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).