(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone

C14H23N5O2 — CID 171423062

IUPAC(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCOCC2(CCCN2C(=O)n2cncn2)C1
InChIInChI=1S/C14H23N5O2/c1-12(2)17-6-7-21-9-14(8-17)4-3-5-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3
InChIKeyXJJVXQNIZYGCNQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds1

About (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone

(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 171423062) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID171423062
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CCOCC2(CCCN2C(=O)n2cncn2)C1
InChIInChI=1S/C14H23N5O2/c1-12(2)17-6-7-21-9-14(8-17)4-3-5-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3
InChIKeyXJJVXQNIZYGCNQ-UHFFFAOYSA-N
XLogP0.82
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405918
(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405916
(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405453
(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
CID 171423080
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
CID 170571684
(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
CID 131640395
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
CID 131685131
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752

Frequently Asked Questions

What is the IUPAC name of (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 171423062) is (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone is CC(C)N1CCOCC2(CCCN2C(=O)n2cncn2)C1.
What is the InChIKey of (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is XJJVXQNIZYGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-12(2)17-6-7-21-9-14(8-17)4-3-5-18(14)13(20)19-11-15-10-16-19/h10-12H,3-9H2,1-2H3.
What are the key properties of (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone?
(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 171423062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).