6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine

C16H18N4O2 — CID 175923302

IUPAC6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine
SMILESC#Cc1ccc(-c2nncnc2N(C)C)c(OCOCC)c1
InChIInChI=1S/C16H18N4O2/c1-5-12-7-8-13(14(9-12)22-11-21-6-2)15-16(20(3)4)17-10-18-19-15/h1,7-10H,6,11H2,2-4H3
InChIKeyZZNKZSMYEXJKDB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.96
Rot. Bonds6

About 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine

6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine (PubChem CID 175923302) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine
PubChem CID175923302
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine
SMILESC#Cc1ccc(-c2nncnc2N(C)C)c(OCOCC)c1
InChIInChI=1S/C16H18N4O2/c1-5-12-7-8-13(14(9-12)22-11-21-6-2)15-16(20(3)4)17-10-18-19-15/h1,7-10H,6,11H2,2-4H3
InChIKeyZZNKZSMYEXJKDB-UHFFFAOYSA-N
XLogP1.96
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N-methyl-1,2,4-triazin-3-amine
CID 170023880
4-[2-(ethoxymethoxy)-4-ethynylphenyl]-N-methylthieno[2,3-d]pyridazin-7-amine
CID 170025915
3-[[6-[2-(ethoxymethoxy)-4-ethynylphenyl]-5-methyl-1,2,4-triazin-3-yl]amino]-1-methylcyclobutan-1-ol
CID 168973515
5-cyclopropyl-6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N-[(3R)-1-(trideuteriomethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
CID 171545191
5-[2-(ethoxymethoxy)-4-ethynylphenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-d]pyridazin-8-amine
CID 176742603
2-[(3R)-3-[[6-[2-(ethoxymethoxy)-4-ethynylphenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanol
CID 168973382
2-[(3R)-3-[[6-[2-(ethoxymethoxy)-4-ethynylphenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 175435225
2-[3-[[6-[2-(ethoxymethoxy)-4-ethynylphenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 175435226
5-cyclopropyl-6-[2-(ethoxymethoxy)-4-ethynylphenyl]-1-[(3R)-1-ethylpiperidin-3-yl]-2H-1,2,4-triazine
CID 171545171
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620
1-(4-ethylphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508535
1-(ethoxymethyl)-4-ethynylbenzene
CID 86643750

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine (CID 175923302) is 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine is C#Cc1ccc(-c2nncnc2N(C)C)c(OCOCC)c1.
What is the InChIKey of 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine?
The InChIKey is ZZNKZSMYEXJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-5-12-7-8-13(14(9-12)22-11-21-6-2)15-16(20(3)4)17-10-18-19-15/h1,7-10H,6,11H2,2-4H3.
What are the key properties of 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine?
6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine has a molecular weight of 298.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethoxymethoxy)-4-ethynylphenyl]-N,N-dimethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 175923302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).