3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H19N5O2 — CID 165431747

IUPAC3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C14H19N5O2/c20-12-14(5-1-2-6-14)15-13(21)19(12)9-11-8-18(17-16-11)7-10-3-4-10/h8,10H,1-7,9H2,(H,15,21)
InChIKeyOCNJMOVZBCRZHU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.05
Rot. Bonds4

About 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 165431747) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID165431747
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C14H19N5O2/c20-12-14(5-1-2-6-14)15-13(21)19(12)9-11-8-18(17-16-11)7-10-3-4-10/h8,10H,1-7,9H2,(H,15,21)
InChIKeyOCNJMOVZBCRZHU-UHFFFAOYSA-N
XLogP1.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 165431747) is 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1cn(CC2CC2)nn1.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OCNJMOVZBCRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-12-14(5-1-2-6-14)15-13(21)19(12)9-11-8-18(17-16-11)7-10-3-4-10/h8,10H,1-7,9H2,(H,15,21).
What are the key properties of 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 165431747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).