(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide

C12H18N4O3 — CID 95137904

IUPAC(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)[C@H]1COCCO1)CC2
InChIInChI=1S/C12H18N4O3/c1-8-14-15-11-3-2-9(6-16(8)11)13-12(17)10-7-18-4-5-19-10/h9-10H,2-7H2,1H3,(H,13,17)/t9-,10-/m1/s1
InChIKeyJCBIMRSWGUEWGL-NXEZZACHSA-N
MW266.30 g/mol
LogP-0.57
Rot. Bonds2

About (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide

(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide (PubChem CID 95137904) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
PubChem CID95137904
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
SMILESCc1nnc2n1C[C@H](NC(=O)[C@H]1COCCO1)CC2
InChIInChI=1S/C12H18N4O3/c1-8-14-15-11-3-2-9(6-16(8)11)13-12(17)10-7-18-4-5-19-10/h9-10H,2-7H2,1H3,(H,13,17)/t9-,10-/m1/s1
InChIKeyJCBIMRSWGUEWGL-NXEZZACHSA-N
XLogP-0.57
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
CID 95137019
1-methylsulfonyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 95148105
N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
CID 43427952
N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
CID 47340962
N-piperidin-4-yl-1,4-dioxane-2-carboxamide
CID 43662827
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 54579739
1-(3,4-difluorophenyl)-3-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97343562
(3R,7aR)-7a-methyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 100596873
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 95156971
1-tert-butyl-3-cyclopropyl-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazole-5-carboxamide
CID 95138621
3-(1,4-dioxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 63044373
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772258

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide (CID 95137904) is (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide is Cc1nnc2n1C[C@H](NC(=O)[C@H]1COCCO1)CC2.
What is the InChIKey of (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is JCBIMRSWGUEWGL-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-14-15-11-3-2-9(6-16(8)11)13-12(17)10-7-18-4-5-19-10/h9-10H,2-7H2,1H3,(H,13,17)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95137904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).