8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine

C18H21N9O — CID 162352716

IUPAC8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine
SMILES[H]/N=c1\n(C)c2cnc(Nc3cn4ncnc4cc3C)nc2n1C1CCOCC1
InChIInChI=1S/C18H21N9O/c1-11-7-15-21-10-22-26(15)9-13(11)23-18-20-8-14-16(24-18)27(17(19)25(14)2)12-3-5-28-6-4-12/h7-10,12,19H,3-6H2,1-2H3,(H,20,23,24)/b19-17+
InChIKeyHECWWHRKIUPDQZ-HTXNQAPBSA-N
MW379.43 g/mol
LogP1.70
Rot. Bonds3

About 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine

8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine (PubChem CID 162352716) has the molecular formula C18H21N9O and a molecular weight of 379.43 g/mol. Its IUPAC name is 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine.

Molecular Properties

Compound Name8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine
PubChem CID162352716
Molecular FormulaC18H21N9O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine
SMILES[H]/N=c1\n(C)c2cnc(Nc3cn4ncnc4cc3C)nc2n1C1CCOCC1
InChIInChI=1S/C18H21N9O/c1-11-7-15-21-10-22-26(15)9-13(11)23-18-20-8-14-16(24-18)27(17(19)25(14)2)12-3-5-28-6-4-12/h7-10,12,19H,3-6H2,1-2H3,(H,20,23,24)/b19-17+
InChIKeyHECWWHRKIUPDQZ-HTXNQAPBSA-N
XLogP1.70
TPSA110.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine?
The IUPAC name of 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine (CID 162352716) is 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine.
What is the SMILES notation for 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine?
The canonical SMILES for 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine is [H]/N=c1\n(C)c2cnc(Nc3cn4ncnc4cc3C)nc2n1C1CCOCC1.
What is the InChIKey of 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine?
The InChIKey is HECWWHRKIUPDQZ-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H21N9O/c1-11-7-15-21-10-22-26(15)9-13(11)23-18-20-8-14-16(24-18)27(17(19)25(14)2)12-3-5-28-6-4-12/h7-10,12,19H,3-6H2,1-2H3,(H,20,23,24)/b19-17+.
What are the key properties of 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine?
8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine has a molecular weight of 379.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine is sourced from PubChem (CID 162352716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).