3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

C11H11N7 — CID 40532076

IUPAC3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NCc3ccncc3)ncnc21
InChIInChI=1S/C11H11N7/c1-18-11-9(16-17-18)10(14-7-15-11)13-6-8-2-4-12-5-3-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyNUTTXOQXALTDEN-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.77
Rot. Bonds3

About 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 40532076) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID40532076
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NCc3ccncc3)ncnc21
InChIInChI=1S/C11H11N7/c1-18-11-9(16-17-18)10(14-7-15-11)13-6-8-2-4-12-5-3-8/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyNUTTXOQXALTDEN-UHFFFAOYSA-N
XLogP0.77
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
CID 7584287
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
N-[(4-aminophenyl)methyl]-3-benzyltriazolo[4,5-d]pyrimidin-7-amine
CID 10758894
6-N-ethyl-5-nitro-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80772884
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 40532076) is 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(NCc3ccncc3)ncnc21.
What is the InChIKey of 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NUTTXOQXALTDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-18-11-9(16-17-18)10(14-7-15-11)13-6-8-2-4-12-5-3-8/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 241.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 40532076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).