5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione

C14H22N6O2 — CID 95758084

IUPAC5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCc1nc2n(n1)C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)CC2
InChIInChI=1S/C14H22N6O2/c1-9-16-11-5-4-10(8-20(11)18-9)15-6-7-19-12(21)14(2,3)17-13(19)22/h10,15H,4-8H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyUGADAXZXTSSIAF-JTQLQIEISA-N
MW306.37 g/mol
LogP-0.18
Rot. Bonds4

About 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 95758084) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID95758084
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCc1nc2n(n1)C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)CC2
InChIInChI=1S/C14H22N6O2/c1-9-16-11-5-4-10(8-20(11)18-9)15-6-7-19-12(21)14(2,3)17-13(19)22/h10,15H,4-8H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyUGADAXZXTSSIAF-JTQLQIEISA-N
XLogP-0.18
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione (CID 95758084) is 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione is Cc1nc2n(n1)C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)CC2.
What is the InChIKey of 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is UGADAXZXTSSIAF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9-16-11-5-4-10(8-20(11)18-9)15-6-7-19-12(21)14(2,3)17-13(19)22/h10,15H,4-8H2,1-3H3,(H,17,22)/t10-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 306.37 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95758084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).