3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide

C16H23N7O2 — CID 144783809

IUPAC3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide
SMILESCNc1cccc(C2CC2)c1COc1nncnc1C.NNNC=O
InChIInChI=1S/C15H18N4O.CH5N3O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2;2-4-3-1-5/h3-5,9,11,16H,6-8H2,1-2H3;1,4H,2H2,(H,3,5)
InChIKeyBXNJQTXVMRMEGK-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.79
Rot. Bonds7

About 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide

3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide (PubChem CID 144783809) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide
PubChem CID144783809
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide
SMILESCNc1cccc(C2CC2)c1COc1nncnc1C.NNNC=O
InChIInChI=1S/C15H18N4O.CH5N3O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2;2-4-3-1-5/h3-5,9,11,16H,6-8H2,1-2H3;1,4H,2H2,(H,3,5)
InChIKeyBXNJQTXVMRMEGK-UHFFFAOYSA-N
XLogP0.79
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide?
The IUPAC name of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide (CID 144783809) is 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide.
What is the SMILES notation for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide?
The canonical SMILES for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide is CNc1cccc(C2CC2)c1COc1nncnc1C.NNNC=O.
What is the InChIKey of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide?
The InChIKey is BXNJQTXVMRMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.CH5N3O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2;2-4-3-1-5/h3-5,9,11,16H,6-8H2,1-2H3;1,4H,2H2,(H,3,5).
What are the key properties of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide?
3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide has a molecular weight of 345.41 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline;N-hydrazinylformamide is sourced from PubChem (CID 144783809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).