N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine

C16H18N10 — CID 171327443

IUPACN,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
SMILESCc1nnc2c(N3CC(N(C)c4ncnc5c4ncn5C)C3)nccn12
InChIInChI=1S/C16H18N10/c1-10-21-22-16-15(17-4-5-26(10)16)25-6-11(7-25)24(3)14-12-13(18-8-19-14)23(2)9-20-12/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyRVKCVYJHUHFFBJ-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.43
Rot. Bonds3

About N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine

N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine (PubChem CID 171327443) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine.

Molecular Properties

Compound NameN,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
PubChem CID171327443
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC NameN,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
SMILESCc1nnc2c(N3CC(N(C)c4ncnc5c4ncn5C)C3)nccn12
InChIInChI=1S/C16H18N10/c1-10-21-22-16-15(17-4-5-26(10)16)25-6-11(7-25)24(3)14-12-13(18-8-19-14)23(2)9-20-12/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyRVKCVYJHUHFFBJ-UHFFFAOYSA-N
XLogP0.43
TPSA93.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine?
The IUPAC name of N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine (CID 171327443) is N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine.
What is the SMILES notation for N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine?
The canonical SMILES for N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine is Cc1nnc2c(N3CC(N(C)c4ncnc5c4ncn5C)C3)nccn12.
What is the InChIKey of N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine?
The InChIKey is RVKCVYJHUHFFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10/c1-10-21-22-16-15(17-4-5-26(10)16)25-6-11(7-25)24(3)14-12-13(18-8-19-14)23(2)9-20-12/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine?
N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine has a molecular weight of 350.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine is sourced from PubChem (CID 171327443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).