8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H18ClN5O2 — CID 121326772

IUPAC8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCC12NC(=O)NC2=O
InChIInChI=1S/C16H18ClN5O2/c1-15(2)8-22(4-3-16(15)13(23)19-14(24)20-16)12-6-9(17)5-11-10(12)7-18-21-11/h5-7H,3-4,8H2,1-2H3,(H,18,21)(H2,19,20,23,24)
InChIKeyJZDRNRKIZBGYLY-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.03
Rot. Bonds1

About 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 121326772) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID121326772
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCC12NC(=O)NC2=O
InChIInChI=1S/C16H18ClN5O2/c1-15(2)8-22(4-3-16(15)13(23)19-14(24)20-16)12-6-9(17)5-11-10(12)7-18-21-11/h5-7H,3-4,8H2,1-2H3,(H,18,21)(H2,19,20,23,24)
InChIKeyJZDRNRKIZBGYLY-UHFFFAOYSA-N
XLogP2.03
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 121326772) is 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCC12NC(=O)NC2=O.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JZDRNRKIZBGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-15(2)8-22(4-3-16(15)13(23)19-14(24)20-16)12-6-9(17)5-11-10(12)7-18-21-11/h5-7H,3-4,8H2,1-2H3,(H,18,21)(H2,19,20,23,24).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 347.81 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 121326772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).