(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone

C14H18F2N4O — CID 175952209

IUPAC(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC1(F)F)N1CC2(CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C14H18F2N4O/c15-14(16)5-10(14)12(21)20-6-13(7-20)3-1-9(2-4-13)11-17-8-18-19-11/h8-10H,1-7H2,(H,17,18,19)
InChIKeyZSNFYFPFGRSGFN-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.95
Rot. Bonds2

About (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone

(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 175952209) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID175952209
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1CC1(F)F)N1CC2(CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C14H18F2N4O/c15-14(16)5-10(14)12(21)20-6-13(7-20)3-1-9(2-4-13)11-17-8-18-19-11/h8-10H,1-7H2,(H,17,18,19)
InChIKeyZSNFYFPFGRSGFN-UHFFFAOYSA-N
XLogP1.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001352
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001371
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79020004
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929294
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932631
4,4-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 81932652
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932835
4,4-difluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 81932856
4,4-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 81932911
4-(4H-1,2,4-triazol-3-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 86284492
[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 128894526
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-3-methyl-2-(1H-1,2,4-triazol-5-yl)butan-1-one
CID 139017710

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone (CID 175952209) is (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(C1CC1(F)F)N1CC2(CCC(c3ncn[nH]3)CC2)C1.
What is the InChIKey of (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is ZSNFYFPFGRSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c15-14(16)5-10(14)12(21)20-6-13(7-20)3-1-9(2-4-13)11-17-8-18-19-11/h8-10H,1-7H2,(H,17,18,19).
What are the key properties of (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone?
(2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 296.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[7-(1H-1,2,4-triazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 175952209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).