N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine

C14H11N9 — CID 166810588

IUPACN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(nc3nccn32)[nH]1
InChIInChI=1S/C14H11N9/c1-8-4-11-17-7-18-23(11)6-9(8)19-13-16-5-10-12(20-13)21-14-15-2-3-22(10)14/h2-7H,1H3,(H2,15,16,19,20,21)
InChIKeyINSJPODHAIODNB-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.70
Rot. Bonds2

About N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine

N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine (PubChem CID 166810588) has the molecular formula C14H11N9 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine.

Molecular Properties

Compound NameN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine
PubChem CID166810588
Molecular FormulaC14H11N9
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC NameN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(nc3nccn32)[nH]1
InChIInChI=1S/C14H11N9/c1-8-4-11-17-7-18-23(11)6-9(8)19-13-16-5-10-12(20-13)21-14-15-2-3-22(10)14/h2-7H,1H3,(H2,15,16,19,20,21)
InChIKeyINSJPODHAIODNB-UHFFFAOYSA-N
XLogP1.70
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine?
The IUPAC name of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine (CID 166810588) is N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine.
What is the SMILES notation for N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine?
The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine is Cc1cc2ncnn2cc1Nc1ncc2c(nc3nccn32)[nH]1.
What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine?
The InChIKey is INSJPODHAIODNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N9/c1-8-4-11-17-7-18-23(11)6-9(8)19-13-16-5-10-12(20-13)21-14-15-2-3-22(10)14/h2-7H,1H3,(H2,15,16,19,20,21).
What are the key properties of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine?
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine has a molecular weight of 305.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-purino[7,8-a]imidazol-3-amine is sourced from PubChem (CID 166810588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).