(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone

C13H21N5O — CID 170405453

IUPAC(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CC(C)C2(CCN2C(=O)n2cncn2)C1
InChIInChI=1S/C13H21N5O/c1-10(2)16-6-11(3)13(7-16)4-5-17(13)12(19)18-9-14-8-15-18/h8-11H,4-7H2,1-3H3
InChIKeyQLNIYVHSUQFODO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds1

About (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone

(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 170405453) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID170405453
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCC(C)N1CC(C)C2(CCN2C(=O)n2cncn2)C1
InChIInChI=1S/C13H21N5O/c1-10(2)16-6-11(3)13(7-16)4-5-17(13)12(19)18-9-14-8-15-18/h8-11H,4-7H2,1-3H3
InChIKeyQLNIYVHSUQFODO-UHFFFAOYSA-N
XLogP1.05
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 170405453) is (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone is CC(C)N1CC(C)C2(CCN2C(=O)n2cncn2)C1.
What is the InChIKey of (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is QLNIYVHSUQFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)16-6-11(3)13(7-16)4-5-17(13)12(19)18-9-14-8-15-18/h8-11H,4-7H2,1-3H3.
What are the key properties of (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone?
(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 170405453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).