N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine

C10H13N7 — CID 135991280

IUPACN-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine
SMILESCNC(C)(C)c1nnc2c3[nH]cnc3ncn12
InChIInChI=1S/C10H13N7/c1-10(2,11-3)9-16-15-8-6-7(13-4-12-6)14-5-17(8)9/h4-5,11H,1-3H3,(H,12,13)
InChIKeyBCXDVNCORFBSEL-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.46
Rot. Bonds2

About N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine

N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine (PubChem CID 135991280) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine
PubChem CID135991280
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine
SMILESCNC(C)(C)c1nnc2c3[nH]cnc3ncn12
InChIInChI=1S/C10H13N7/c1-10(2,11-3)9-16-15-8-6-7(13-4-12-6)14-5-17(8)9/h4-5,11H,1-3H3,(H,12,13)
InChIKeyBCXDVNCORFBSEL-UHFFFAOYSA-N
XLogP0.46
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine
CID 136672030
N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
CID 136704313
4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-1H-imidazole-5-carboxylic acid
CID 136991863
3-methoxy-4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)aniline
CID 136829864
[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine
CID 137001448
[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
CID 136966172
1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
CID 166485173
tert-butyl 4-[1H-imidazo[2,1-f]purin-7-ylmethyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]butanoate
CID 15946119
1-oxido-7H-purin-6-one
CID 71438070
1-(trideuterio(113C)methyl)-7H-purin-6-imine
CID 169443101
methyl 7-oxo-1H-pyrido[2,1-f]purine-9-carboxylate
CID 131858369
1-hydroxy-N-methyl-7H-purin-6-imine
CID 135546995

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine (CID 135991280) is N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine is CNC(C)(C)c1nnc2c3[nH]cnc3ncn12.
What is the InChIKey of N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine?
The InChIKey is BCXDVNCORFBSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-10(2,11-3)9-16-15-8-6-7(13-4-12-6)14-5-17(8)9/h4-5,11H,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine?
N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine is sourced from PubChem (CID 135991280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).