4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

C11H19N5O2 — CID 64518834

IUPAC4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C11H19N5O2/c1-7-13-10(15-14-7)6-16(2)11(17)9-4-8(18-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyBCEHRLKMHPWLCS-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.55
Rot. Bonds4

About 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 64518834) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID64518834
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C11H19N5O2/c1-7-13-10(15-14-7)6-16(2)11(17)9-4-8(18-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyBCEHRLKMHPWLCS-UHFFFAOYSA-N
XLogP-0.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 64518834) is 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)Cc2n[nH]c(C)n2)C1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BCEHRLKMHPWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7-13-10(15-14-7)6-16(2)11(17)9-4-8(18-3)5-12-9/h8-9,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 64518834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).