1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C10H17N5O — CID 107062025

IUPAC1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C10H17N5O/c1-3-10(4-5-11-7-10)8(16)6-9-12-14-15(2)13-9/h11H,3-7H2,1-2H3
InChIKeyCQULABLDSANWRA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.29
Rot. Bonds4

About 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062025) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062025
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C10H17N5O/c1-3-10(4-5-11-7-10)8(16)6-9-12-14-15(2)13-9/h11H,3-7H2,1-2H3
InChIKeyCQULABLDSANWRA-UHFFFAOYSA-N
XLogP-0.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 107062058
3-[(2-Methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107044552
2-(2-Methyltetrazol-5-yl)-1-piperidin-4-ylethanone
CID 107061723
5-(Methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061830
1-(2-Methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
CID 107061860
4-(Ethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061963
1-(4-Methylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061990
1-(4-Ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061997
2-(2-Methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone
CID 107062001
1-(3-Ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062005
1-(3-Methylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062015
1-(3-Methylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062021

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062025) is 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is CCC1(C(=O)Cc2nnn(C)n2)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is CQULABLDSANWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-10(4-5-11-7-10)8(16)6-9-12-14-15(2)13-9/h11H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).