1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane

C16H27N5 — CID 107078368

IUPAC1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCN2Cc1nnc2n1CCCC2
InChIInChI=1S/C16H27N5/c1-3-7-16(8-4-1)13-17-9-11-20(16)12-15-19-18-14-6-2-5-10-21(14)15/h17H,1-13H2
InChIKeyMBNCPLTXFUKWGT-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.72
Rot. Bonds2

About 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane

1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 107078368) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID107078368
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCN2Cc1nnc2n1CCCC2
InChIInChI=1S/C16H27N5/c1-3-7-16(8-4-1)13-17-9-11-20(16)12-15-19-18-14-6-2-5-10-21(14)15/h17H,1-13H2
InChIKeyMBNCPLTXFUKWGT-UHFFFAOYSA-N
XLogP1.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 176681666
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078385
3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
3-(2-piperidin-4-ylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 62215549
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
3-[(3,3-dimethyl-2-prop-2-enylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 119049743
2,2-dimethyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)thiomorpholine
CID 100641638
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)morpholine
CID 163313897
1-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclohexane-1-carboxamide
CID 50977682
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79256208
3-(2-phenoxyethyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 154780886

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane (CID 107078368) is 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane is C1CCC2(CC1)CNCCN2Cc1nnc2n1CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is MBNCPLTXFUKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-7-16(8-4-1)13-17-9-11-20(16)12-15-19-18-14-6-2-5-10-21(14)15/h17H,1-13H2.
What are the key properties of 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane?
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 289.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107078368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).