[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone

C20H26N4O2 — CID 146067753

IUPAC[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C20H26N4O2/c25-19(16-6-9-26-12-16)23-11-17(20(13-23)7-2-1-3-8-20)18-22-21-14-24(18)10-15-4-5-15/h6,9,12,14-15,17H,1-5,7-8,10-11,13H2
InChIKeyLKISDMOHLULNKF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.47
Rot. Bonds4

About [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone

[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone (PubChem CID 146067753) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
PubChem CID146067753
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1
InChIInChI=1S/C20H26N4O2/c25-19(16-6-9-26-12-16)23-11-17(20(13-23)7-2-1-3-8-20)18-22-21-14-24(18)10-15-4-5-15/h6,9,12,14-15,17H,1-5,7-8,10-11,13H2
InChIKeyLKISDMOHLULNKF-UHFFFAOYSA-N
XLogP3.47
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-pyrimidin-5-ylmethanone
CID 146071709
4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-ethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 146067774
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methylimidazol-4-yl)methanone
CID 155882297
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 155882507
1-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-2-phenylmethoxyethanone
CID 146071715
3-cyclopentyl-1-[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 155881139
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 146067687
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111313
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 134070362
[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 155880426
(1-methylcyclohexyl)-[8-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]methanone
CID 155880641
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone (CID 146067753) is [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CC(c2nncn2CC2CC2)C2(CCCCC2)C1.
What is the InChIKey of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
The InChIKey is LKISDMOHLULNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(16-6-9-26-12-16)23-11-17(20(13-23)7-2-1-3-8-20)18-22-21-14-24(18)10-15-4-5-15/h6,9,12,14-15,17H,1-5,7-8,10-11,13H2.
What are the key properties of [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone?
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 146067753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).