1,3-diazinan-5-ol

C4H10N2O — CID 10953438

IUPAC1,3-diazinan-5-ol
SMILESOC1CNCNC1
InChIInChI=1S/C4H10N2O/c7-4-1-5-3-6-2-4/h4-7H,1-3H2
InChIKeyROYZEMODCVMWJX-UHFFFAOYSA-N
MW102.14 g/mol
LogP-1.50
Rot. Bonds

About 1,3-diazinan-5-ol

1,3-diazinan-5-ol (PubChem CID 10953438) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 1,3-diazinan-5-ol.

Molecular Properties

Compound Name1,3-diazinan-5-ol
PubChem CID10953438
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name1,3-diazinan-5-ol
SMILESOC1CNCNC1
InChIInChI=1S/C4H10N2O/c7-4-1-5-3-6-2-4/h4-7H,1-3H2
InChIKeyROYZEMODCVMWJX-UHFFFAOYSA-N
XLogP-1.50
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydro-5-hydroxy-1H-pyrimidin-2-one
CID 74616
5-Hydroxy-1-methyl-1,3-diazinan-2-one
CID 83694228
5-Hydroxytetrahydropyrimidine-2(1H)-thione
CID 3574639
2-(Trifluoromethyl)-1,3-diazinan-5-ol
CID 178856797
2-(2-Methyltetrahydropyrimidin-1(2H)-yl)ethanol
CID 45088010
1,3-Bis(aminomethylamino)propan-2-ol
CID 53654363
1,3-Diazinan-2-ylmethanol
CID 53808426
1,1-Bis(methylamino)propan-2-ol
CID 53962734
2-(1,3-Diazinan-1-yl)ethanol
CID 55287829
4-Amino-5-hydroxy-1,3-diazinan-2-one
CID 56994877
1-[1,5-Bis(1-hydroxyethyl)-1,3,5-triazinan-2-yl]ethanol
CID 68572961
1-(1,3,5-Triazinan-1-yl)propan-2-ol
CID 68938766

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinan-5-ol?
The IUPAC name of 1,3-diazinan-5-ol (CID 10953438) is 1,3-diazinan-5-ol.
What is the SMILES notation for 1,3-diazinan-5-ol?
The canonical SMILES for 1,3-diazinan-5-ol is OC1CNCNC1.
What is the InChIKey of 1,3-diazinan-5-ol?
The InChIKey is ROYZEMODCVMWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c7-4-1-5-3-6-2-4/h4-7H,1-3H2.
What are the key properties of 1,3-diazinan-5-ol?
1,3-diazinan-5-ol has a molecular weight of 102.14 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinan-5-ol is sourced from PubChem (CID 10953438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).