1-(1,3,5-triazinan-1-yl)propan-2-ol

C6H15N3O — CID 68938766

IUPAC1-(1,3,5-triazinan-1-yl)propan-2-ol
SMILESCC(O)CN1CNCNC1
InChIInChI=1S/C6H15N3O/c1-6(10)2-9-4-7-3-8-5-9/h6-8,10H,2-5H2,1H3
InChIKeyOXBRDPXTJMIQTN-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.27
Rot. Bonds2

About 1-(1,3,5-triazinan-1-yl)propan-2-ol

1-(1,3,5-triazinan-1-yl)propan-2-ol (PubChem CID 68938766) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(1,3,5-triazinan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3,5-triazinan-1-yl)propan-2-ol
PubChem CID68938766
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(1,3,5-triazinan-1-yl)propan-2-ol
SMILESCC(O)CN1CNCNC1
InChIInChI=1S/C6H15N3O/c1-6(10)2-9-4-7-3-8-5-9/h6-8,10H,2-5H2,1H3
InChIKeyOXBRDPXTJMIQTN-UHFFFAOYSA-N
XLogP-1.27
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-triazinan-1-yl)propan-2-ol?
The IUPAC name of 1-(1,3,5-triazinan-1-yl)propan-2-ol (CID 68938766) is 1-(1,3,5-triazinan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1,3,5-triazinan-1-yl)propan-2-ol?
The canonical SMILES for 1-(1,3,5-triazinan-1-yl)propan-2-ol is CC(O)CN1CNCNC1.
What is the InChIKey of 1-(1,3,5-triazinan-1-yl)propan-2-ol?
The InChIKey is OXBRDPXTJMIQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-6(10)2-9-4-7-3-8-5-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-(1,3,5-triazinan-1-yl)propan-2-ol?
1-(1,3,5-triazinan-1-yl)propan-2-ol has a molecular weight of 145.21 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-triazinan-1-yl)propan-2-ol is sourced from PubChem (CID 68938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).