[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

C14H23N5O — CID 131683945

IUPAC[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCC(C)CN1CCC2(C1)CN(C(=O)c1ncn(C)n1)C2
InChIInChI=1S/C14H23N5O/c1-11(2)6-18-5-4-14(7-18)8-19(9-14)13(20)12-15-10-17(3)16-12/h10-11H,4-9H2,1-3H3
InChIKeyKHYGHYMKIKBJNA-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.62
Rot. Bonds3

About [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131683945) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131683945
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCC(C)CN1CCC2(C1)CN(C(=O)c1ncn(C)n1)C2
InChIInChI=1S/C14H23N5O/c1-11(2)6-18-5-4-14(7-18)8-19(9-14)13(20)12-15-10-17(3)16-12/h10-11H,4-9H2,1-3H3
InChIKeyKHYGHYMKIKBJNA-UHFFFAOYSA-N
XLogP0.62
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131683945) is [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is CC(C)CN1CCC2(C1)CN(C(=O)c1ncn(C)n1)C2.
What is the InChIKey of [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is KHYGHYMKIKBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)6-18-5-4-14(7-18)8-19(9-14)13(20)12-15-10-17(3)16-12/h10-11H,4-9H2,1-3H3.
What are the key properties of [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131683945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).