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

C15H18N4O2 — CID 134787675

IUPAC3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N(C)C)CC2
InChIInChI=1S/C15H18N4O2/c1-18(2)15(20)11-8-9-13-16-17-14(19(11)13)10-6-4-5-7-12(10)21-3/h4-7,11H,8-9H2,1-3H3
InChIKeyTYFRZLQEEVGZPJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.53
Rot. Bonds3

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

3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134787675) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134787675
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCOc1ccccc1-c1nnc2n1C(C(=O)N(C)C)CC2
InChIInChI=1S/C15H18N4O2/c1-18(2)15(20)11-8-9-13-16-17-14(19(11)13)10-6-4-5-7-12(10)21-3/h4-7,11H,8-9H2,1-3H3
InChIKeyTYFRZLQEEVGZPJ-UHFFFAOYSA-N
XLogP1.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134787675) is 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is COc1ccccc1-c1nnc2n1C(C(=O)N(C)C)CC2.
What is the InChIKey of 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is TYFRZLQEEVGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(2)15(20)11-8-9-13-16-17-14(19(11)13)10-6-4-5-7-12(10)21-3/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N,N-dimethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134787675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).