2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C11H20ClN5 — CID 120907965

IUPAC2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)nn1
InChIInChI=1S/C11H19N5.ClH/c1-15-6-10(13-14-15)7-16-5-3-11(9-16)2-4-12-8-11;/h6,12H,2-5,7-9H2,1H3;1H
InChIKeyIMUNXBGBBZQSDQ-UHFFFAOYSA-N
MW257.77 g/mol
LogP0.42
Rot. Bonds2

About 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907965) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120907965
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.Cn1cc(CN2CCC3(CCNC3)C2)nn1
InChIInChI=1S/C11H19N5.ClH/c1-15-6-10(13-14-15)7-16-5-3-11(9-16)2-4-12-8-11;/h6,12H,2-5,7-9H2,1H3;1H
InChIKeyIMUNXBGBBZQSDQ-UHFFFAOYSA-N
XLogP0.42
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908252
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
2-[[1-(2,4-dichlorophenyl)triazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908373
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907965) is 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.Cn1cc(CN2CCC3(CCNC3)C2)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is IMUNXBGBBZQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5.ClH/c1-15-6-10(13-14-15)7-16-5-3-11(9-16)2-4-12-8-11;/h6,12H,2-5,7-9H2,1H3;1H.
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 257.77 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).