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

C6H8N4 — CID 145064529

IUPAC[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILES[H]/N=C/c1ncnn1/C=C\C
InChIInChI=1S/C6H8N4/c1-2-3-10-6(4-7)8-5-9-10/h2-5,7H,1H3/b3-2-,7-4+
InChIKeyXZOKKMUBRWYEJR-UDJLOATDSA-N
MW136.16 g/mol
LogP0.77
Rot. Bonds2

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

[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (PubChem CID 145064529) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
PubChem CID145064529
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILES[H]/N=C/c1ncnn1/C=C\C
InChIInChI=1S/C6H8N4/c1-2-3-10-6(4-7)8-5-9-10/h2-5,7H,1H3/b3-2-,7-4+
InChIKeyXZOKKMUBRWYEJR-UDJLOATDSA-N
XLogP0.77
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
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-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
3-Methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 58503812
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
(1-Prop-2-enyl-1,2,4-triazol-3-yl)methanamine
CID 81672638
(E)-2-(3-methyl-1,2,4-triazol-4-yl)ethenamine
CID 89340277

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The IUPAC name of [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (CID 145064529) is [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.
What is the SMILES notation for [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The canonical SMILES for [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is [H]/N=C/c1ncnn1/C=C\C.
What is the InChIKey of [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The InChIKey is XZOKKMUBRWYEJR-UDJLOATDSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-3-10-6(4-7)8-5-9-10/h2-5,7H,1H3/b3-2-,7-4+.
What are the key properties of [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
[2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine has a molecular weight of 136.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is sourced from PubChem (CID 145064529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).