2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C15H25N5O2 — CID 72902665

IUPAC2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C15H25N5O2/c1-2-19-12-16-17-13(19)10-18-7-5-15(11-18)4-3-6-20(8-9-21)14(15)22/h12,21H,2-11H2,1H3
InChIKeyRUKQBLOHXMEXQT-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.10
Rot. Bonds5

About 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72902665) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72902665
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C15H25N5O2/c1-2-19-12-16-17-13(19)10-18-7-5-15(11-18)4-3-6-20(8-9-21)14(15)22/h12,21H,2-11H2,1H3
InChIKeyRUKQBLOHXMEXQT-UHFFFAOYSA-N
XLogP0.10
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72902665) is 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCn1cnnc1CN1CCC2(CCCN(CCO)C2=O)C1.
What is the InChIKey of 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RUKQBLOHXMEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-2-19-12-16-17-13(19)10-18-7-5-15(11-18)4-3-6-20(8-9-21)14(15)22/h12,21H,2-11H2,1H3.
What are the key properties of 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 307.40 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72902665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).