N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C13H14N6O — CID 7424163

IUPACN-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cccc(CNc2ncnc3c2nnn3C)c1
InChIInChI=1S/C13H14N6O/c1-19-13-11(17-18-19)12(15-8-16-13)14-7-9-4-3-5-10(6-9)20-2/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyWUPZJOJESQJITN-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.38
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424163) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424163
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1cccc(CNc2ncnc3c2nnn3C)c1
InChIInChI=1S/C13H14N6O/c1-19-13-11(17-18-19)12(15-8-16-13)14-7-9-4-3-5-10(6-9)20-2/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyWUPZJOJESQJITN-UHFFFAOYSA-N
XLogP1.38
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
[6-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264649
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180833
1-[2-(4-bromophenyl)-2-chloroethyl]-N-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 71745299
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7424163) is N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine is COc1cccc(CNc2ncnc3c2nnn3C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WUPZJOJESQJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-13-11(17-18-19)12(15-8-16-13)14-7-9-4-3-5-10(6-9)20-2/h3-6,8H,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 270.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).