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

C13H21N5O — CID 171423080

IUPAC(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
SMILESCc1ncn(C(=O)N2CC[C@@]23CCN(C(C)C)C3)n1
InChIInChI=1S/C13H21N5O/c1-10(2)16-6-4-13(8-16)5-7-17(13)12(19)18-9-14-11(3)15-18/h9-10H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyISEWWRLSIYAMQO-CYBMUJFWSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds1

About (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone

(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone (PubChem CID 171423080) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
PubChem CID171423080
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
SMILESCc1ncn(C(=O)N2CC[C@@]23CCN(C(C)C)C3)n1
InChIInChI=1S/C13H21N5O/c1-10(2)16-6-4-13(8-16)5-7-17(13)12(19)18-9-14-11(3)15-18/h9-10H,4-8H2,1-3H3/t13-/m1/s1
InChIKeyISEWWRLSIYAMQO-CYBMUJFWSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
CID 170571684
(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
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
(7-propan-2-yl-10-oxa-1,7-diazaspiro[4.6]undecan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 171423062
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
CID 171423088
(5-methyl-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405453
2-[3-(dimethylamino)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64528744
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
CID 177071314
3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 115014441
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone?
The IUPAC name of (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone (CID 171423080) is (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone is Cc1ncn(C(=O)N2CC[C@@]23CCN(C(C)C)C3)n1.
What is the InChIKey of (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone?
The InChIKey is ISEWWRLSIYAMQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(2)16-6-4-13(8-16)5-7-17(13)12(19)18-9-14-11(3)15-18/h9-10H,4-8H2,1-3H3/t13-/m1/s1.
What are the key properties of (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone?
(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone is sourced from PubChem (CID 171423080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).