4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

C10H17N5O2 — CID 64517294

IUPAC4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O2/c1-15(5-9-12-6-13-14-9)10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLYUCLQGOPRROHD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.86
Rot. Bonds4

About 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 64517294) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID64517294
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O2/c1-15(5-9-12-6-13-14-9)10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLYUCLQGOPRROHD-UHFFFAOYSA-N
XLogP-0.86
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.86
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-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 64517294) is 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)Cc2ncn[nH]2)C1.
What is the InChIKey of 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LYUCLQGOPRROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15(5-9-12-6-13-14-9)10(16)8-3-7(17-2)4-11-8/h6-8,11H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.86, 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-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 64517294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).