cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone

C17H24N4O — CID 146068162

IUPACcyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
SMILESO=C(C1CC1)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C17H24N4O/c22-16(12-3-4-12)20-9-14(17(10-20)7-1-2-8-17)15-19-18-11-21(15)13-5-6-13/h11-14H,1-10H2
InChIKeyDTYQCWAFRVXPEN-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.51
Rot. Bonds3

About cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone

cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone (PubChem CID 146068162) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
PubChem CID146068162
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Namecyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
SMILESO=C(C1CC1)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C17H24N4O/c22-16(12-3-4-12)20-9-14(17(10-20)7-1-2-8-17)15-19-18-11-21(15)13-5-6-13/h11-14H,1-10H2
InChIKeyDTYQCWAFRVXPEN-UHFFFAOYSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone with MolForge

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Related Compounds

[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
CID 155881163
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 146067884
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(3,5-dimethoxyphenyl)methanone
CID 155882390
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
CID 146067871
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 146068168
(2-bromo-5-methoxyphenyl)-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone;hydrochloride
CID 146070521
1-[4-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carbonyl]piperidin-1-yl]ethanone
CID 155882424
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 146071647
1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
CID 163336247
cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 146069092
2-(azepan-1-yl)-1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]ethanone
CID 146067797

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone (CID 146068162) is cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone is O=C(C1CC1)N1CC(c2nncn2C2CC2)C2(CCCC2)C1.
What is the InChIKey of cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is DTYQCWAFRVXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(12-3-4-12)20-9-14(17(10-20)7-1-2-8-17)15-19-18-11-21(15)13-5-6-13/h11-14H,1-10H2.
What are the key properties of cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 300.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 146068162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).