3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol

C12H27N3O3 — CID 21393776

IUPAC3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol
SMILESOCCCC1CN(CCCO)NN(CCCO)C1
InChIInChI=1S/C12H27N3O3/c16-7-1-4-12-10-14(5-2-8-17)13-15(11-12)6-3-9-18/h12-13,16-18H,1-11H2
InChIKeyYIUVMOGZNPDTGT-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.82
Rot. Bonds9

About 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol

3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol (PubChem CID 21393776) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol
PubChem CID21393776
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol
SMILESOCCCC1CN(CCCO)NN(CCCO)C1
InChIInChI=1S/C12H27N3O3/c16-7-1-4-12-10-14(5-2-8-17)13-15(11-12)6-3-9-18/h12-13,16-18H,1-11H2
InChIKeyYIUVMOGZNPDTGT-UHFFFAOYSA-N
XLogP-0.82
TPSA79.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol?
The IUPAC name of 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol (CID 21393776) is 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol.
What is the SMILES notation for 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol?
The canonical SMILES for 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol is OCCCC1CN(CCCO)NN(CCCO)C1.
What is the InChIKey of 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol?
The InChIKey is YIUVMOGZNPDTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c16-7-1-4-12-10-14(5-2-8-17)13-15(11-12)6-3-9-18/h12-13,16-18H,1-11H2.
What are the key properties of 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol?
3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of -0.82, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-bis(3-hydroxypropyl)triazinan-5-yl]propan-1-ol is sourced from PubChem (CID 21393776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).