N-methyl-1,3,5-triazin-2-amine

C4H6N4 — CID 19952

IUPACN-methyl-1,3,5-triazin-2-amine
SMILESCNc1ncncn1
InChIInChI=1S/C4H6N4/c1-5-4-7-2-6-3-8-4/h2-3H,1H3,(H,5,6,7,8)
InChIKeyVXMGBSXIKBWFBU-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.09
Rot. Bonds1

About N-methyl-1,3,5-triazin-2-amine

N-methyl-1,3,5-triazin-2-amine (PubChem CID 19952) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-1,3,5-triazin-2-amine
PubChem CID19952
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC NameN-methyl-1,3,5-triazin-2-amine
SMILESCNc1ncncn1
InChIInChI=1S/C4H6N4/c1-5-4-7-2-6-3-8-4/h2-3H,1H3,(H,5,6,7,8)
InChIKeyVXMGBSXIKBWFBU-UHFFFAOYSA-N
XLogP-0.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-1,3,5-triazin-2-amine (CID 19952) is N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-1,3,5-triazin-2-amine is CNc1ncncn1.
What is the InChIKey of N-methyl-1,3,5-triazin-2-amine?
The InChIKey is VXMGBSXIKBWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-5-4-7-2-6-3-8-4/h2-3H,1H3,(H,5,6,7,8).
What are the key properties of N-methyl-1,3,5-triazin-2-amine?
N-methyl-1,3,5-triazin-2-amine has a molecular weight of 110.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).