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

C8H14N4 — CID 142875440

IUPACethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
SMILESC=Nn1cnnc1/C=C\C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-4-6-9-8-5-10(6)7-2;1-2/h3-5H,2H2,1H3;1-2H3/b4-3-;
InChIKeyMIGQUPSUOAVYDE-LNKPDPKZSA-N
MW166.23 g/mol
LogP1.80
Rot. Bonds2

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

ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine (PubChem CID 142875440) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
PubChem CID142875440
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nameethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
SMILESC=Nn1cnnc1/C=C\C.CC
InChIInChI=1S/C6H8N4.C2H6/c1-3-4-6-9-8-5-10(6)7-2;1-2/h3-5H,2H2,1H3;1-2H3/b4-3-;
InChIKeyMIGQUPSUOAVYDE-LNKPDPKZSA-N
XLogP1.80
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4-fluoro-N-methyl-1-(5-propan-2-yl-1,2,4-triazol-1-yl)penta-2,4-dien-1-imine
CID 156790868
7H-Pyrimido(1,2-b)(1,2,4)triazolo(3,4-f)pyridazine, 8,9-dihydro-
CID 158984
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
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-Prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 60710153
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
(1-Prop-2-enyl-1,2,4-triazol-3-yl)methanamine
CID 81672638

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The IUPAC name of ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine (CID 142875440) is ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine.
What is the SMILES notation for ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The canonical SMILES for ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine is C=Nn1cnnc1/C=C\C.CC.
What is the InChIKey of ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The InChIKey is MIGQUPSUOAVYDE-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H8N4.C2H6/c1-3-4-6-9-8-5-10(6)7-2;1-2/h3-5H,2H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine has a molecular weight of 166.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine is sourced from PubChem (CID 142875440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).