[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine

C10H10N10 — CID 137001448

IUPAC[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2nnc3c4[nH]cnc4ncn23)nn1
InChIInChI=1S/C10H10N10/c11-1-6-2-19(18-15-6)3-7-16-17-10-8-9(13-4-12-8)14-5-20(7)10/h2,4-5H,1,3,11H2,(H,12,13)
InChIKeySXRQKXZIQSOKGE-UHFFFAOYSA-N
MW270.26 g/mol
LogP-0.90
Rot. Bonds3

About [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine

[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine (PubChem CID 137001448) has the molecular formula C10H10N10 and a molecular weight of 270.26 g/mol. Its IUPAC name is [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine
PubChem CID137001448
Molecular FormulaC10H10N10
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(Cc2nnc3c4[nH]cnc4ncn23)nn1
InChIInChI=1S/C10H10N10/c11-1-6-2-19(18-15-6)3-7-16-17-10-8-9(13-4-12-8)14-5-20(7)10/h2,4-5H,1,3,11H2,(H,12,13)
InChIKeySXRQKXZIQSOKGE-UHFFFAOYSA-N
XLogP-0.90
TPSA128.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]triazol-4-yl]methanamine
CID 113313955
[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 95215759
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
CID 62054119
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
3-methoxy-4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)aniline
CID 136829864
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
1-(1H-imidazo[2,1-f]purin-7-yl)propan-2-one
CID 166485173
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
5-chloro-3-propyl-9H-[1,2,4]triazolo[3,4-f]purine
CID 135480564
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129

Frequently Asked Questions

What is the IUPAC name of [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine (CID 137001448) is [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine is NCc1cn(Cc2nnc3c4[nH]cnc4ncn23)nn1.
What is the InChIKey of [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is SXRQKXZIQSOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N10/c11-1-6-2-19(18-15-6)3-7-16-17-10-8-9(13-4-12-8)14-5-20(7)10/h2,4-5H,1,3,11H2,(H,12,13).
What are the key properties of [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine?
[1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 270.26 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-[1,2,4]triazolo[3,4-f]purin-3-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 137001448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).