1-propan-2-yl-1,3,5-triazinane

C6H15N3 — CID 21323958

IUPAC1-propan-2-yl-1,3,5-triazinane
SMILESCC(C)N1CNCNC1
InChIInChI=1S/C6H15N3/c1-6(2)9-4-7-3-8-5-9/h6-8H,3-5H2,1-2H3
InChIKeyGTJCTYKPIIIPKH-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.24
Rot. Bonds1

About 1-propan-2-yl-1,3,5-triazinane

1-propan-2-yl-1,3,5-triazinane (PubChem CID 21323958) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1-propan-2-yl-1,3,5-triazinane.

Molecular Properties

Compound Name1-propan-2-yl-1,3,5-triazinane
PubChem CID21323958
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1-propan-2-yl-1,3,5-triazinane
SMILESCC(C)N1CNCNC1
InChIInChI=1S/C6H15N3/c1-6(2)9-4-7-3-8-5-9/h6-8H,3-5H2,1-2H3
InChIKeyGTJCTYKPIIIPKH-UHFFFAOYSA-N
XLogP-0.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-di(propan-2-yl)-1,3,5-triazinane
CID 155613866
CID 160802886
CID 160802886
1,4-di(propan-2-yl)-1,3,5-triazinane
CID 58373984
1-propan-2-ylpiperazine;vanadium
CID 162375922
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
ethane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 160577480
1-propan-2-ylazetidine;1-propan-2-ylimidazolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167703240
6-propan-2-yl-4,6-diazaspiro[2.4]heptane
CID 167340247
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,3,5-triazinane?
The IUPAC name of 1-propan-2-yl-1,3,5-triazinane (CID 21323958) is 1-propan-2-yl-1,3,5-triazinane.
What is the SMILES notation for 1-propan-2-yl-1,3,5-triazinane?
The canonical SMILES for 1-propan-2-yl-1,3,5-triazinane is CC(C)N1CNCNC1.
What is the InChIKey of 1-propan-2-yl-1,3,5-triazinane?
The InChIKey is GTJCTYKPIIIPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2)9-4-7-3-8-5-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,3,5-triazinane?
1-propan-2-yl-1,3,5-triazinane has a molecular weight of 129.21 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1,3,5-triazinane is sourced from PubChem (CID 21323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).