N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine

C11H13N5O — CID 170855917

IUPACN-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine
SMILESCNOCc1ccc(-c2nnc(C)nn2)cc1
InChIInChI=1S/C11H13N5O/c1-8-13-15-11(16-14-8)10-5-3-9(4-6-10)7-17-12-2/h3-6,12H,7H2,1-2H3
InChIKeyYOJPSBRHSNQHNE-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.89
Rot. Bonds4

About N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine

N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine (PubChem CID 170855917) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine.

Molecular Properties

Compound NameN-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine
PubChem CID170855917
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine
SMILESCNOCc1ccc(-c2nnc(C)nn2)cc1
InChIInChI=1S/C11H13N5O/c1-8-13-15-11(16-14-8)10-5-3-9(4-6-10)7-17-12-2/h3-6,12H,7H2,1-2H3
InChIKeyYOJPSBRHSNQHNE-UHFFFAOYSA-N
XLogP0.89
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 135712912
N-(pyridin-4-ylmethoxy)methanamine
CID 87262654
4-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 167282073
N-(2-hydroxyethyl)-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 129273900
2-methyl-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 139307179
4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzamide
CID 121370392
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
CID 168747424
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393283
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454889
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393281
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
CID 172653535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine?
The IUPAC name of N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine (CID 170855917) is N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine.
What is the SMILES notation for N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine?
The canonical SMILES for N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine is CNOCc1ccc(-c2nnc(C)nn2)cc1.
What is the InChIKey of N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine?
The InChIKey is YOJPSBRHSNQHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-13-15-11(16-14-8)10-5-3-9(4-6-10)7-17-12-2/h3-6,12H,7H2,1-2H3.
What are the key properties of N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine?
N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine has a molecular weight of 231.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methoxy]methanamine is sourced from PubChem (CID 170855917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).