(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone

C13H21N5O2 — CID 131680814

IUPAC(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN1CCC2(COCCN(C(=O)c3ncn(C)n3)C2)C1
InChIInChI=1S/C13H21N5O2/c1-16-4-3-13(7-16)8-18(5-6-20-9-13)12(19)11-14-10-17(2)15-11/h10H,3-9H2,1-2H3
InChIKeyYPJXVMCJGVLKFQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.39
Rot. Bonds1

About (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone

(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131680814) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131680814
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCN1CCC2(COCCN(C(=O)c3ncn(C)n3)C2)C1
InChIInChI=1S/C13H21N5O2/c1-16-4-3-13(7-16)8-18(5-6-20-9-13)12(19)11-14-10-17(2)15-11/h10H,3-9H2,1-2H3
InChIKeyYPJXVMCJGVLKFQ-UHFFFAOYSA-N
XLogP-0.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131680814) is (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone is CN1CCC2(COCCN(C(=O)c3ncn(C)n3)C2)C1.
What is the InChIKey of (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is YPJXVMCJGVLKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16-4-3-13(7-16)8-18(5-6-20-9-13)12(19)11-14-10-17(2)15-11/h10H,3-9H2,1-2H3.
What are the key properties of (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone?
(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131680814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).