methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate

C14H17N5O2 — CID 133434367

IUPACmethyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2nnc3n2CCC3)nc1C
InChIInChI=1S/C14H17N5O2/c1-9-10(14(20)21-2)5-6-11(16-9)15-8-13-18-17-12-4-3-7-19(12)13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyRPCVCFHUJBPXOT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.33
Rot. Bonds4

About methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate

methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate (PubChem CID 133434367) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
PubChem CID133434367
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2nnc3n2CCC3)nc1C
InChIInChI=1S/C14H17N5O2/c1-9-10(14(20)21-2)5-6-11(16-9)15-8-13-18-17-12-4-3-7-19(12)13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyRPCVCFHUJBPXOT-UHFFFAOYSA-N
XLogP1.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoyl)benzoate
CID 17444434
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
CID 162628903
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
CID 133432389
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
5,6-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyridazin-3-amine
CID 133488550
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
methyl 5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carboxylate
CID 25157665
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(4-methylphenyl)urea
CID 17469528
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methoxy-2-phenylacetamide
CID 71941313

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate (CID 133434367) is methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NCc2nnc3n2CCC3)nc1C.
What is the InChIKey of methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate?
The InChIKey is RPCVCFHUJBPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-10(14(20)21-2)5-6-11(16-9)15-8-13-18-17-12-4-3-7-19(12)13/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate?
methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133434367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).