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

C14H13N9 — CID 166810707

IUPACN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)nc1n2CCN1
InChIInChI=1S/C14H13N9/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/h4-7H,2-3H2,1H3,(H2,15,16,19,20,21)
InChIKeyHWGHTDBGWJIGMG-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.35
Rot. Bonds2

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

N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine (PubChem CID 166810707) has the molecular formula C14H13N9 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine.

Molecular Properties

Compound NameN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine
PubChem CID166810707
Molecular FormulaC14H13N9
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)nc1n2CCN1
InChIInChI=1S/C14H13N9/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/h4-7H,2-3H2,1H3,(H2,15,16,19,20,21)
InChIKeyHWGHTDBGWJIGMG-UHFFFAOYSA-N
XLogP1.35
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine?
The IUPAC name of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine (CID 166810707) is N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-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)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine?
The canonical SMILES for N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine is Cc1cc2ncnn2cc1Nc1ncc2c(n1)nc1n2CCN1.
What is the InChIKey of N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine?
The InChIKey is HWGHTDBGWJIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N9/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/h4-7H,2-3H2,1H3,(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)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine?
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine has a molecular weight of 307.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 9 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)-7,8-dihydro-6H-purino[7,8-a]imidazol-3-amine is sourced from PubChem (CID 166810707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).