(5-methoxy-1,2,4-triazin-6-yl)methanimine

C5H6N4O — CID 123446836

IUPAC(5-methoxy-1,2,4-triazin-6-yl)methanimine
SMILES[H]/N=C/c1nncnc1OC
InChIInChI=1S/C5H6N4O/c1-10-5-4(2-6)9-8-3-7-5/h2-3,6H,1H3/b6-2+
InChIKeyPRQIJSMRSWVIRZ-QHHAFSJGSA-N
MW138.13 g/mol
LogP-0.12
Rot. Bonds2

About (5-methoxy-1,2,4-triazin-6-yl)methanimine

(5-methoxy-1,2,4-triazin-6-yl)methanimine (PubChem CID 123446836) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is (5-methoxy-1,2,4-triazin-6-yl)methanimine.

Molecular Properties

Compound Name(5-methoxy-1,2,4-triazin-6-yl)methanimine
PubChem CID123446836
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name(5-methoxy-1,2,4-triazin-6-yl)methanimine
SMILES[H]/N=C/c1nncnc1OC
InChIInChI=1S/C5H6N4O/c1-10-5-4(2-6)9-8-3-7-5/h2-3,6H,1H3/b6-2+
InChIKeyPRQIJSMRSWVIRZ-QHHAFSJGSA-N
XLogP-0.12
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;5-methoxy-6-methyl-1,2,4-triazine
CID 69015199
(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
4-amino-6-methoxypyrimidin-5-ol
CID 171035604
[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
CID 91263358
3-methoxypyridazine-4-carboximidamide
CID 80514231
5-methanimidoyl-6-methylpyrimidin-4-amine
CID 87419378
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanimine
CID 91050739
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
2-[(E)-4-chlorobut-1-enyl]-3-methoxypyrazine
CID 104516725
5-(3,4-dinitrophenyl)-4,6-dimethoxypyrimidine
CID 13449232
5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine
CID 145138294
4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen
CID 177218070

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,2,4-triazin-6-yl)methanimine?
The IUPAC name of (5-methoxy-1,2,4-triazin-6-yl)methanimine (CID 123446836) is (5-methoxy-1,2,4-triazin-6-yl)methanimine.
What is the SMILES notation for (5-methoxy-1,2,4-triazin-6-yl)methanimine?
The canonical SMILES for (5-methoxy-1,2,4-triazin-6-yl)methanimine is [H]/N=C/c1nncnc1OC.
What is the InChIKey of (5-methoxy-1,2,4-triazin-6-yl)methanimine?
The InChIKey is PRQIJSMRSWVIRZ-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H6N4O/c1-10-5-4(2-6)9-8-3-7-5/h2-3,6H,1H3/b6-2+.
What are the key properties of (5-methoxy-1,2,4-triazin-6-yl)methanimine?
(5-methoxy-1,2,4-triazin-6-yl)methanimine has a molecular weight of 138.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,2,4-triazin-6-yl)methanimine is sourced from PubChem (CID 123446836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).