(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

C₉H₁₅N₅O — CID 131071172

About (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone

(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 131071172) has the molecular formula C₉H₁₅N₅O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

• Compound Name: (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
• PubChem CID: 131071172
• Molecular Formula: C₉H₁₅N₅O
• Molecular Weight: 209.25 g/mol
• Exact Mass: 209.13
• IUPAC Name: (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
• SMILES: CCC1(C(=O)c2nnn(C)n2)CCNC1
• InChI: InChI=1S/C9H15N5O/c1-3-9(4-5-10-6-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3
• InChIKey: NUJZZFBSGVMTED-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.25
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?

The IUPAC name of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 131071172) is (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone.

What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?

The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is CCC1(C(=O)c2nnn(C)n2)CCNC1.

What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?

The InChIKey is NUJZZFBSGVMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-9(4-5-10-6-9)7(15)8-11-13-14(2)12-8/h10H,3-6H2,1-2H3.

What are the key properties of (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone?

(3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131071172 — identifiers, structure, computed properties (public domain)

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