3-methylpteridin-7-imine

C7H7N5 — CID 171384186

IUPAC3-methylpteridin-7-imine
SMILES[H]/N=c1\cnc2cn(C)cnc-2n1
InChIInChI=1S/C7H7N5/c1-12-3-5-7(10-4-12)11-6(8)2-9-5/h2-4,8H,1H3/b8-6+
InChIKeyPAONYMABMOGOFD-SOFGYWHQSA-N
MW161.17 g/mol
LogP-0.21
Rot. Bonds

About 3-methylpteridin-7-imine

3-methylpteridin-7-imine (PubChem CID 171384186) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 3-methylpteridin-7-imine.

Molecular Properties

Compound Name3-methylpteridin-7-imine
PubChem CID171384186
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name3-methylpteridin-7-imine
SMILES[H]/N=c1\cnc2cn(C)cnc-2n1
InChIInChI=1S/C7H7N5/c1-12-3-5-7(10-4-12)11-6(8)2-9-5/h2-4,8H,1H3/b8-6+
InChIKeyPAONYMABMOGOFD-SOFGYWHQSA-N
XLogP-0.21
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylpteridin-7-imine?
The IUPAC name of 3-methylpteridin-7-imine (CID 171384186) is 3-methylpteridin-7-imine.
What is the SMILES notation for 3-methylpteridin-7-imine?
The canonical SMILES for 3-methylpteridin-7-imine is [H]/N=c1\cnc2cn(C)cnc-2n1.
What is the InChIKey of 3-methylpteridin-7-imine?
The InChIKey is PAONYMABMOGOFD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-3-5-7(10-4-12)11-6(8)2-9-5/h2-4,8H,1H3/b8-6+.
What are the key properties of 3-methylpteridin-7-imine?
3-methylpteridin-7-imine has a molecular weight of 161.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpteridin-7-imine is sourced from PubChem (CID 171384186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).