N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

C14H15N5O — CID 71847643

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCOc1cccc(CN(C)c2cncc3nncn23)c1
InChIInChI=1S/C14H15N5O/c1-18(9-11-4-3-5-12(6-11)20-2)14-8-15-7-13-17-16-10-19(13)14/h3-8,10H,9H2,1-2H3
InChIKeyIBTSYQMAOSWMNR-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.77
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (PubChem CID 71847643) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
PubChem CID71847643
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCOc1cccc(CN(C)c2cncc3nncn23)c1
InChIInChI=1S/C14H15N5O/c1-18(9-11-4-3-5-12(6-11)20-2)14-8-15-7-13-17-16-10-19(13)14/h3-8,10H,9H2,1-2H3
InChIKeyIBTSYQMAOSWMNR-UHFFFAOYSA-N
XLogP1.77
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea
CID 167465585
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 67108105
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (CID 71847643) is N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is COc1cccc(CN(C)c2cncc3nncn23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The InChIKey is IBTSYQMAOSWMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18(9-11-4-3-5-12(6-11)20-2)14-8-15-7-13-17-16-10-19(13)14/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine has a molecular weight of 269.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is sourced from PubChem (CID 71847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).