N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine

C7H10N4 — CID 123617120

IUPACN-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
SMILESC=Nc1nc(C)nn1C=CC
InChIInChI=1S/C7H10N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,3H2,1-2H3
InChIKeySOFZTXIRYMKXKE-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds2

About N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine

N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine (PubChem CID 123617120) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
PubChem CID123617120
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
SMILESC=Nc1nc(C)nn1C=CC
InChIInChI=1S/C7H10N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,3H2,1-2H3
InChIKeySOFZTXIRYMKXKE-UHFFFAOYSA-N
XLogP1.41
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.41
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

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
1-Vinyl-1,2,4-triazole-acrylonitrile
CID 129880152
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
2-Methyl-7,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072983
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
4-But-1-enyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 69991490

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine?
The IUPAC name of N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine (CID 123617120) is N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine.
What is the SMILES notation for N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine?
The canonical SMILES for N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine is C=Nc1nc(C)nn1C=CC.
What is the InChIKey of N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine?
The InChIKey is SOFZTXIRYMKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,3H2,1-2H3.
What are the key properties of N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine?
N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine has a molecular weight of 150.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine is sourced from PubChem (CID 123617120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).