2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine

C8H14N6 — CID 131025917

IUPAC2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CC(CNc2ncnc(N)n2)C1
InChIInChI=1S/C8H14N6/c1-14-3-6(4-14)2-10-8-12-5-11-7(9)13-8/h5-6H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyZAMQHGMFFKGAEY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.57
Rot. Bonds3

About 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 131025917) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID131025917
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN1CC(CNc2ncnc(N)n2)C1
InChIInChI=1S/C8H14N6/c1-14-3-6(4-14)2-10-8-12-5-11-7(9)13-8/h5-6H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyZAMQHGMFFKGAEY-UHFFFAOYSA-N
XLogP-0.57
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 131025917) is 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CN1CC(CNc2ncnc(N)n2)C1.
What is the InChIKey of 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZAMQHGMFFKGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-14-3-6(4-14)2-10-8-12-5-11-7(9)13-8/h5-6H,2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 194.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 131025917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).