[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

C14H23N5O — CID 131687286

IUPAC[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN(C)C1CC2(CCN(C(=O)c3ncn(C)n3)CC2)C1
InChIInChI=1S/C14H23N5O/c1-17(2)11-8-14(9-11)4-6-19(7-5-14)13(20)12-15-10-18(3)16-12/h10-11H,4-9H2,1-3H3
InChIKeyLPGHTDLPRNSSMY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds2

About [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131687286) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131687286
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN(C)C1CC2(CCN(C(=O)c3ncn(C)n3)CC2)C1
InChIInChI=1S/C14H23N5O/c1-17(2)11-8-14(9-11)4-6-19(7-5-14)13(20)12-15-10-18(3)16-12/h10-11H,4-9H2,1-3H3
InChIKeyLPGHTDLPRNSSMY-UHFFFAOYSA-N
XLogP0.76
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131687286) is [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is CN(C)C1CC2(CCN(C(=O)c3ncn(C)n3)CC2)C1.
What is the InChIKey of [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is LPGHTDLPRNSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17(2)11-8-14(9-11)4-6-19(7-5-14)13(20)12-15-10-18(3)16-12/h10-11H,4-9H2,1-3H3.
What are the key properties of [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131687286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).