ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine

C12H22N4 — CID 165134075

IUPACethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine
SMILESC/C=C\n1nc(C(C)C)nc1/N=C\C.CC
InChIInChI=1S/C10H16N4.C2H6/c1-5-7-14-10(11-6-2)12-9(13-14)8(3)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,11-6-;
InChIKeyQSTAJSUUASDISN-RFUFMZOLSA-N
MW222.34 g/mol
LogP3.64
Rot. Bonds3

About ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine

ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine (PubChem CID 165134075) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine
PubChem CID165134075
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Nameethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine
SMILESC/C=C\n1nc(C(C)C)nc1/N=C\C.CC
InChIInChI=1S/C10H16N4.C2H6/c1-5-7-14-10(11-6-2)12-9(13-14)8(3)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,11-6-;
InChIKeyQSTAJSUUASDISN-RFUFMZOLSA-N
XLogP3.64
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine with MolForge

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Related Compounds

1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
2,8-Dimethyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 89603927
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 118674821
N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
CID 123617120
1-Buta-1,3-dienyl-5-methyl-1,2,4-triazole
CID 123844108
1-(2-Ethylbuta-1,3-dienyl)-5-propyl-1,2,4-triazole
CID 123994001
3-Ethyl-4-prop-1-enyl-1,2,4-triazole
CID 124014672
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
2,6,6-Trimethyl-[1,2,4]triazolo[1,5-a][1,3]diazepine
CID 132095368
N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 137413514

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine?
The IUPAC name of ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine (CID 165134075) is ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine.
What is the SMILES notation for ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine?
The canonical SMILES for ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine is C/C=C\n1nc(C(C)C)nc1/N=C\C.CC.
What is the InChIKey of ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine?
The InChIKey is QSTAJSUUASDISN-RFUFMZOLSA-N. The full InChI is InChI=1S/C10H16N4.C2H6/c1-5-7-14-10(11-6-2)12-9(13-14)8(3)4;1-2/h5-8H,1-4H3;1-2H3/b7-5-,11-6-;.
What are the key properties of ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine?
ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine has a molecular weight of 222.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethanimine is sourced from PubChem (CID 165134075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).