1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen

C16H19N3O2 — CID 176562721

IUPAC1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
SMILESCn1cc(C2CC2)c2cc(N3CCC(=O)NC3=O)ccc21.[H][H]
InChIInChI=1S/C16H17N3O2.H2/c1-18-9-13(10-2-3-10)12-8-11(4-5-14(12)18)19-7-6-15(20)17-16(19)21;/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,20,21);1H
InChIKeyYMBCWOQFTDQXTO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.75
Rot. Bonds2

About 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen

1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen (PubChem CID 176562721) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
PubChem CID176562721
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
SMILESCn1cc(C2CC2)c2cc(N3CCC(=O)NC3=O)ccc21.[H][H]
InChIInChI=1S/C16H17N3O2.H2/c1-18-9-13(10-2-3-10)12-8-11(4-5-14(12)18)19-7-6-15(20)17-16(19)21;/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,20,21);1H
InChIKeyYMBCWOQFTDQXTO-UHFFFAOYSA-N
XLogP2.75
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562093
1-[3-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-1-methylindol-6-yl]-1,3-diazinane-2,4-dione
CID 176562739
1-[1-methyl-2-(1-methylpiperidin-4-yl)indol-6-yl]-1,3-diazinane-2,4-dione
CID 169002977
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
1-(2-methyl-3-oxo-1H-isoindol-5-yl)-1,3-diazinane-2,4-dione
CID 163231144
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidine-1-carboxylic acid
CID 170350514
1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176561743
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
CID 168870495
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen?
The IUPAC name of 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen (CID 176562721) is 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen?
The canonical SMILES for 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen is Cn1cc(C2CC2)c2cc(N3CCC(=O)NC3=O)ccc21.[H][H].
What is the InChIKey of 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen?
The InChIKey is YMBCWOQFTDQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.H2/c1-18-9-13(10-2-3-10)12-8-11(4-5-14(12)18)19-7-6-15(20)17-16(19)21;/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,20,21);1H.
What are the key properties of 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen?
1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen has a molecular weight of 285.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen is sourced from PubChem (CID 176562721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).