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

C9H14N4 — CID 146262226

IUPACN-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
SMILESC=Nn1c(/C=C\C)nnc1C(C)C
InChIInChI=1S/C9H14N4/c1-5-6-8-11-12-9(7(2)3)13(8)10-4/h5-7H,4H2,1-3H3/b6-5-
InChIKeySNIPYDTXCZRBNK-WAYWQWQTSA-N
MW178.24 g/mol
LogP1.90
Rot. Bonds3

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

N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine (PubChem CID 146262226) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine.

Molecular Properties

Compound NameN-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
PubChem CID146262226
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
SMILESC=Nn1c(/C=C\C)nnc1C(C)C
InChIInChI=1S/C9H14N4/c1-5-6-8-11-12-9(7(2)3)13(8)10-4/h5-7H,4H2,1-3H3/b6-5-
InChIKeySNIPYDTXCZRBNK-WAYWQWQTSA-N
XLogP1.90
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.90
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-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The IUPAC name of N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine (CID 146262226) is N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine.
What is the SMILES notation for N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The canonical SMILES for N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine is C=Nn1c(/C=C\C)nnc1C(C)C.
What is the InChIKey of N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
The InChIKey is SNIPYDTXCZRBNK-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14N4/c1-5-6-8-11-12-9(7(2)3)13(8)10-4/h5-7H,4H2,1-3H3/b6-5-.
What are the key properties of N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine?
N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine has a molecular weight of 178.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine is sourced from PubChem (CID 146262226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).