5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione

C15H22N6O3 — CID 70736465

IUPAC5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1nnc2n1CCN(C(=O)CCC1NC(=O)NC1=O)CC2
InChIInChI=1S/C15H22N6O3/c1-9(2)13-19-18-11-5-6-20(7-8-21(11)13)12(22)4-3-10-14(23)17-15(24)16-10/h9-10H,3-8H2,1-2H3,(H2,16,17,23,24)
InChIKeyISTVZUUQMSVDKS-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.23
Rot. Bonds4

About 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione

5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione (PubChem CID 70736465) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione
PubChem CID70736465
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione
SMILESCC(C)c1nnc2n1CCN(C(=O)CCC1NC(=O)NC1=O)CC2
InChIInChI=1S/C15H22N6O3/c1-9(2)13-19-18-11-5-6-20(7-8-21(11)13)12(22)4-3-10-14(23)17-15(24)16-10/h9-10H,3-8H2,1-2H3,(H2,16,17,23,24)
InChIKeyISTVZUUQMSVDKS-UHFFFAOYSA-N
XLogP-0.23
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[(2S)-oxolan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95978215
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 131945019
(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
CID 131942530
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
[(2R)-morpholin-2-yl]-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 95727153

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione (CID 70736465) is 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione is CC(C)c1nnc2n1CCN(C(=O)CCC1NC(=O)NC1=O)CC2.
What is the InChIKey of 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is ISTVZUUQMSVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-9(2)13-19-18-11-5-6-20(7-8-21(11)13)12(22)4-3-10-14(23)17-15(24)16-10/h9-10H,3-8H2,1-2H3,(H2,16,17,23,24).
What are the key properties of 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione?
5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70736465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).