ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one

C9H17N3O — CID 177158802

IUPACethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESCC.CCn1nc2n(c1=O)CCC2
InChIInChI=1S/C7H11N3O.C2H6/c1-2-10-7(11)9-5-3-4-6(9)8-10;1-2/h2-5H2,1H3;1-2H3
InChIKeyUNLNFNQKGBNOEJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.04
Rot. Bonds1

About ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one

ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one (PubChem CID 177158802) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Nameethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
PubChem CID177158802
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
SMILESCC.CCn1nc2n(c1=O)CCC2
InChIInChI=1S/C7H11N3O.C2H6/c1-2-10-7(11)9-5-3-4-6(9)8-10;1-2/h2-5H2,1H3;1-2H3
InChIKeyUNLNFNQKGBNOEJ-UHFFFAOYSA-N
XLogP1.04
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Diethyl-2-propyl-1,2,4-triazol-3-one
CID 154699959
2-(2,2-difluoropropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 123372469
2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 20731879
2-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 21338159
2-Methyl-4-propan-2-yl-5-propyl-1,2,4-triazol-3-one
CID 22091021
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
2,6,6-Trimethyl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 53644935
2-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 57927147
2-(5-bromopentyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 57927305
4-Ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 123832689
2,4-Diethyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 168922454
Ethane;2-methyl-5-propan-2-yl-4-propyl-1,2,4-triazol-3-one
CID 168922474

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one?
The IUPAC name of ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one (CID 177158802) is ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one.
What is the SMILES notation for ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one?
The canonical SMILES for ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one is CC.CCn1nc2n(c1=O)CCC2.
What is the InChIKey of ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one?
The InChIKey is UNLNFNQKGBNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C2H6/c1-2-10-7(11)9-5-3-4-6(9)8-10;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one?
ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one is sourced from PubChem (CID 177158802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).