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

C7H10N4 — CID 118674821

IUPACN-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILESC=Nc1nc(C)nn1/C=C\C
InChIInChI=1S/C7H10N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,3H2,1-2H3/b5-4-
InChIKeySOFZTXIRYMKXKE-PLNGDYQASA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds2

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

N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (PubChem CID 118674821) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
PubChem CID118674821
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILESC=Nc1nc(C)nn1/C=C\C
InChIInChI=1S/C7H10N4/c1-4-5-11-7(8-3)9-6(2)10-11/h4-5H,3H2,1-2H3/b5-4-
InChIKeySOFZTXIRYMKXKE-PLNGDYQASA-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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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The IUPAC name of N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (CID 118674821) is N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.
What is the SMILES notation for N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The canonical SMILES for N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is C=Nc1nc(C)nn1/C=C\C.
What is the InChIKey of N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The InChIKey is SOFZTXIRYMKXKE-PLNGDYQASA-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/b5-4-.
What are the key properties of N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
N-[5-methyl-2-[(Z)-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-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is sourced from PubChem (CID 118674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).