2-N-methyl-1,3,5-triazine-2,4,6-triamine

C4H8N6 — CID 26029

IUPAC2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10)
InChIKeyCTRPRMNBTVRDFH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.92
Rot. Bonds1

About 2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 26029) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID26029
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10)
InChIKeyCTRPRMNBTVRDFH-UHFFFAOYSA-N
XLogP-0.92
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 26029) is 2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CTRPRMNBTVRDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10).
What are the key properties of 2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 140.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 26029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).