N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H17N9 — CID 171327427

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nnc2c(N3CC(N(C)c4ncnc5[nH]ccc45)C3)nccn12
InChIInChI=1S/C16H17N9/c1-10-21-22-16-15(18-5-6-25(10)16)24-7-11(8-24)23(2)14-12-3-4-17-13(12)19-9-20-14/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyJYZWXJKFUVKUNV-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.03
Rot. Bonds3

About N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171327427) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171327427
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nnc2c(N3CC(N(C)c4ncnc5[nH]ccc45)C3)nccn12
InChIInChI=1S/C16H17N9/c1-10-21-22-16-15(18-5-6-25(10)16)24-7-11(8-24)23(2)14-12-3-4-17-13(12)19-9-20-14/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20)
InChIKeyJYZWXJKFUVKUNV-UHFFFAOYSA-N
XLogP1.03
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 171327427) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nnc2c(N3CC(N(C)c4ncnc5[nH]ccc45)C3)nccn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JYZWXJKFUVKUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-10-21-22-16-15(18-5-6-25(10)16)24-7-11(8-24)23(2)14-12-3-4-17-13(12)19-9-20-14/h3-6,9,11H,7-8H2,1-2H3,(H,17,19,20).
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 335.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171327427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).