3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C16H26N6O2 — CID 51209114

IUPAC3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H26N6O2/c1-2-3-11-22-13(18-19-20-22)12-21-14(23)16(17-15(21)24)9-7-5-4-6-8-10-16/h2-12H2,1H3,(H,17,24)
InChIKeyWFVCSKKEFQNZFC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.01
Rot. Bonds5

About 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 51209114) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID51209114
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H26N6O2/c1-2-3-11-22-13(18-19-20-22)12-21-14(23)16(17-15(21)24)9-7-5-4-6-8-10-16/h2-12H2,1H3,(H,17,24)
InChIKeyWFVCSKKEFQNZFC-UHFFFAOYSA-N
XLogP2.01
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 51209114) is 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is CCCCn1nnnc1CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is WFVCSKKEFQNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-2-3-11-22-13(18-19-20-22)12-21-14(23)16(17-15(21)24)9-7-5-4-6-8-10-16/h2-12H2,1H3,(H,17,24).
What are the key properties of 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 334.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 51209114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).