1,2,3-trimethyltriazinane

C6H15N3 — CID 19086133

IUPAC1,2,3-trimethyltriazinane
SMILESCN1CCCN(C)N1C
InChIInChI=1S/C6H15N3/c1-7-5-4-6-8(2)9(7)3/h4-6H2,1-3H3
InChIKeyHHPRAYYKBSMXAS-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.02
Rot. Bonds

About 1,2,3-trimethyltriazinane

1,2,3-trimethyltriazinane (PubChem CID 19086133) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1,2,3-trimethyltriazinane.

Molecular Properties

Compound Name1,2,3-trimethyltriazinane
PubChem CID19086133
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1,2,3-trimethyltriazinane
SMILESCN1CCCN(C)N1C
InChIInChI=1S/C6H15N3/c1-7-5-4-6-8(2)9(7)3/h4-6H2,1-3H3
InChIKeyHHPRAYYKBSMXAS-UHFFFAOYSA-N
XLogP0.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyltriazinane?
The IUPAC name of 1,2,3-trimethyltriazinane (CID 19086133) is 1,2,3-trimethyltriazinane.
What is the SMILES notation for 1,2,3-trimethyltriazinane?
The canonical SMILES for 1,2,3-trimethyltriazinane is CN1CCCN(C)N1C.
What is the InChIKey of 1,2,3-trimethyltriazinane?
The InChIKey is HHPRAYYKBSMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-7-5-4-6-8(2)9(7)3/h4-6H2,1-3H3.
What are the key properties of 1,2,3-trimethyltriazinane?
1,2,3-trimethyltriazinane has a molecular weight of 129.21 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyltriazinane is sourced from PubChem (CID 19086133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).