3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C15H24N6O3 — CID 134796580

IUPAC3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(=O)NCc1nnc2n1C(C(=O)NCCN1CCOCC1)CC2
InChIInChI=1S/C15H24N6O3/c1-11(22)17-10-14-19-18-13-3-2-12(21(13)14)15(23)16-4-5-20-6-8-24-9-7-20/h12H,2-10H2,1H3,(H,16,23)(H,17,22)
InChIKeyLITQXVFORMMIHA-UHFFFAOYSA-N
MW336.40 g/mol
LogP-1.15
Rot. Bonds6

About 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134796580) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134796580
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(=O)NCc1nnc2n1C(C(=O)NCCN1CCOCC1)CC2
InChIInChI=1S/C15H24N6O3/c1-11(22)17-10-14-19-18-13-3-2-12(21(13)14)15(23)16-4-5-20-6-8-24-9-7-20/h12H,2-10H2,1H3,(H,16,23)(H,17,22)
InChIKeyLITQXVFORMMIHA-UHFFFAOYSA-N
XLogP-1.15
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-tert-butyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-morpholin-4-ylmethanone
CID 118740463
3-tert-butyl-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740607
N,N-dimethyl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740609
Sdccgsbi-0662665.P001
CID 118740610
3-(acetamidomethyl)-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134798160
1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea
CID 134788553
cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
CID 134788824
1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea
CID 134789368
3-[(propan-2-ylcarbamoylamino)methyl]-N-prop-2-ynyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134789642
methyl 2-[[3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl]amino]acetate
CID 134790077
N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134790686
ethyl 1-[3-(acetamidomethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl]piperidine-4-carboxylate
CID 134796290

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134796580) is 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CC(=O)NCc1nnc2n1C(C(=O)NCCN1CCOCC1)CC2.
What is the InChIKey of 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is LITQXVFORMMIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-11(22)17-10-14-19-18-13-3-2-12(21(13)14)15(23)16-4-5-20-6-8-24-9-7-20/h12H,2-10H2,1H3,(H,16,23)(H,17,22).
What are the key properties of 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134796580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).