[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone

C18H21N5O — CID 155882224

IUPAC[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(c2nncn2C2CC2)C2(CCC2)C1
InChIInChI=1S/C18H21N5O/c24-17(13-3-1-8-19-9-13)22-10-15(18(11-22)6-2-7-18)16-21-20-12-23(16)14-4-5-14/h1,3,8-9,12,14-15H,2,4-7,10-11H2
InChIKeyCCBCXEXLQALFBX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds3

About [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone

[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone (PubChem CID 155882224) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
PubChem CID155882224
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(c2nncn2C2CC2)C2(CCC2)C1
InChIInChI=1S/C18H21N5O/c24-17(13-3-1-8-19-9-13)22-10-15(18(11-22)6-2-7-18)16-21-20-12-23(16)14-4-5-14/h1,3,8-9,12,14-15H,2,4-7,10-11H2
InChIKeyCCBCXEXLQALFBX-UHFFFAOYSA-N
XLogP2.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146068162
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
CID 155881163
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
CID 146071709
(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-[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
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
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 155882507
[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 164629827
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 146067753
4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-ethylsulfonyl-2-azaspiro[4.4]nonane
CID 146067871

Frequently Asked Questions

What is the IUPAC name of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone (CID 155882224) is [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC(c2nncn2C2CC2)C2(CCC2)C1.
What is the InChIKey of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone?
The InChIKey is CCBCXEXLQALFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-17(13-3-1-8-19-9-13)22-10-15(18(11-22)6-2-7-18)16-21-20-12-23(16)14-4-5-14/h1,3,8-9,12,14-15H,2,4-7,10-11H2.
What are the key properties of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone?
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 155882224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).