1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine

C5H9N5O2 — CID 89487972

IUPAC1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1.O=C1CCON1
InChIInChI=1S/C3H5NO2.C2H4N4/c5-3-1-2-6-4-3;3-2-4-1-5-6-2/h1-2H2,(H,4,5);1H,(H3,3,4,5,6)
InChIKeyWRPCQJCUIWTOGL-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.18
Rot. Bonds

About 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine

1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine (PubChem CID 89487972) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine
PubChem CID89487972
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine
SMILESNc1ncn[nH]1.O=C1CCON1
InChIInChI=1S/C3H5NO2.C2H4N4/c5-3-1-2-6-4-3;3-2-4-1-5-6-2/h1-2H2,(H,4,5);1H,(H3,3,4,5,6)
InChIKeyWRPCQJCUIWTOGL-UHFFFAOYSA-N
XLogP-1.18
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-1,2,4-triazol-5-amine
CID 22743754
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376
2-morpholin-4-ylethanamine;1H-1,2,4-triazol-5-amine
CID 70023781
1-chloro-2-(trichloromethyl)benzene;1H-1,2,4-triazol-5-amine
CID 163710683
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1H-1,2,4-triazol-5-amine
CID 6440128
3-(1H-1,2,4-triazol-5-yl)-4H-oxatriazol-3-ium-5-one
CID 135479511
2-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole
CID 140539966
oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363356
4-[4-[1-(4-methoxyphenyl)-7-oxo-3-(1H-1,2,4-triazol-5-yl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]morpholin-3-one
CID 141390176
5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 168698653
4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168704175
(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
CID 155811958

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine?
The IUPAC name of 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine (CID 89487972) is 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine?
The canonical SMILES for 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine is Nc1ncn[nH]1.O=C1CCON1.
What is the InChIKey of 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine?
The InChIKey is WRPCQJCUIWTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C2H4N4/c5-3-1-2-6-4-3;3-2-4-1-5-6-2/h1-2H2,(H,4,5);1H,(H3,3,4,5,6).
What are the key properties of 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine?
1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine has a molecular weight of 171.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-3-one;1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 89487972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).