(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride

C16H28Cl2N6O — CID 163334523

IUPAC(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C16H26N6O.2ClH/c1-20-8-9-21(11-16(20)4-6-17-7-5-16)15(23)13-2-3-14-18-12-19-22(14)10-13;;/h12-13,17H,2-11H2,1H3;2*1H
InChIKeyXYHAWTSESAGIKN-UHFFFAOYSA-N
MW391.35 g/mol
LogP0.58
Rot. Bonds1

About (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride

(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride (PubChem CID 163334523) has the molecular formula C16H28Cl2N6O and a molecular weight of 391.35 g/mol. Its IUPAC name is (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
PubChem CID163334523
Molecular FormulaC16H28Cl2N6O
Molecular Weight391.35 g/mol
Exact Mass390.17
IUPAC Name(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C16H26N6O.2ClH/c1-20-8-9-21(11-16(20)4-6-17-7-5-16)15(23)13-2-3-14-18-12-19-22(14)10-13;;/h12-13,17H,2-11H2,1H3;2*1H
InChIKeyXYHAWTSESAGIKN-UHFFFAOYSA-N
XLogP0.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
CID 163334514
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504807
acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155972591
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 155491562
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504371
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 154818816
9-[1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)ethenyl]-3-azaspiro[5.5]undecane
CID 89035206
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 170512212
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
CID 166649767

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride?
The IUPAC name of (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride (CID 163334523) is (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride.
What is the SMILES notation for (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride?
The canonical SMILES for (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride is CN1CCN(C(=O)C2CCc3ncnn3C2)CC12CCNCC2.Cl.Cl.
What is the InChIKey of (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride?
The InChIKey is XYHAWTSESAGIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O.2ClH/c1-20-8-9-21(11-16(20)4-6-17-7-5-16)15(23)13-2-3-14-18-12-19-22(14)10-13;;/h12-13,17H,2-11H2,1H3;2*1H.
What are the key properties of (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride?
(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride has a molecular weight of 391.35 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride is sourced from PubChem (CID 163334523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).