N-methyl-1-(1,3,5-triazin-2-yl)methanamine

C5H8N4 — CID 82467724

IUPACN-methyl-1-(1,3,5-triazin-2-yl)methanamine
SMILESCNCc1ncncn1
InChIInChI=1S/C5H8N4/c1-6-2-5-8-3-7-4-9-5/h3-4,6H,2H2,1H3
InChIKeyKQSAKJHTZVRESI-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.41
Rot. Bonds2

About N-methyl-1-(1,3,5-triazin-2-yl)methanamine

N-methyl-1-(1,3,5-triazin-2-yl)methanamine (PubChem CID 82467724) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-methyl-1-(1,3,5-triazin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,3,5-triazin-2-yl)methanamine
PubChem CID82467724
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-methyl-1-(1,3,5-triazin-2-yl)methanamine
SMILESCNCc1ncncn1
InChIInChI=1S/C5H8N4/c1-6-2-5-8-3-7-4-9-5/h3-4,6H,2H2,1H3
InChIKeyKQSAKJHTZVRESI-UHFFFAOYSA-N
XLogP-0.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3,5-triazin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1,3,5-triazin-2-yl)methanamine (CID 82467724) is N-methyl-1-(1,3,5-triazin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,3,5-triazin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,3,5-triazin-2-yl)methanamine is CNCc1ncncn1.
What is the InChIKey of N-methyl-1-(1,3,5-triazin-2-yl)methanamine?
The InChIKey is KQSAKJHTZVRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-6-2-5-8-3-7-4-9-5/h3-4,6H,2H2,1H3.
What are the key properties of N-methyl-1-(1,3,5-triazin-2-yl)methanamine?
N-methyl-1-(1,3,5-triazin-2-yl)methanamine has a molecular weight of 124.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3,5-triazin-2-yl)methanamine is sourced from PubChem (CID 82467724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).