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

C6H8N4 — CID 156574142

IUPACN-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILESC=Nc1nncn1/C=C\C
InChIInChI=1S/C6H8N4/c1-3-4-10-5-8-9-6(10)7-2/h3-5H,2H2,1H3/b4-3-
InChIKeyLBEQUIDUWSJCSD-ARJAWSKDSA-N
MW136.16 g/mol
LogP1.10
Rot. Bonds2

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

N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (PubChem CID 156574142) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.

Molecular Properties

Compound NameN-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
PubChem CID156574142
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
SMILESC=Nc1nncn1/C=C\C
InChIInChI=1S/C6H8N4/c1-3-4-10-5-8-9-6(10)7-2/h3-5H,2H2,1H3/b4-3-
InChIKeyLBEQUIDUWSJCSD-ARJAWSKDSA-N
XLogP1.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.10
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-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The IUPAC name of N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine (CID 156574142) is N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine.
What is the SMILES notation for N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The canonical SMILES for N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is C=Nc1nncn1/C=C\C.
What is the InChIKey of N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
The InChIKey is LBEQUIDUWSJCSD-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8N4/c1-3-4-10-5-8-9-6(10)7-2/h3-5H,2H2,1H3/b4-3-.
What are the key properties of N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine?
N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine has a molecular weight of 136.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine is sourced from PubChem (CID 156574142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).