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

C9H15N5O2 — CID 61214072

IUPAC4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C9H15N5O2/c1-16-6-2-7(10-3-6)9(15)11-4-8-12-5-13-14-8/h5-7,10H,2-4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNJZMAXYNZRYUHZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.20
Rot. Bonds4

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

4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61214072) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61214072
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C9H15N5O2/c1-16-6-2-7(10-3-6)9(15)11-4-8-12-5-13-14-8/h5-7,10H,2-4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNJZMAXYNZRYUHZ-UHFFFAOYSA-N
XLogP-1.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 61214072) is 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NJZMAXYNZRYUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-16-6-2-7(10-3-6)9(15)11-4-8-12-5-13-14-8/h5-7,10H,2-4H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).