1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one

C10H17N5O — CID 107043025

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1nnn(C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)6-9-4-3-5-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3
InChIKeyOVWMMNIPNTYNRV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.15
Rot. Bonds4

About 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one

1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 107043025) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
PubChem CID107043025
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1nnn(C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)6-9-4-3-5-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3
InChIKeyOVWMMNIPNTYNRV-UHFFFAOYSA-N
XLogP0.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanone
CID 107043017
4-[Methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one
CID 107043022
2-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 107043027
1-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043028
1-(2-Methyltetrazol-5-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 107061900
2-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 113909182
1-[1-[(2-Methyltetrazol-5-yl)methyl]azepan-2-yl]propan-2-one
CID 113909185
1-(1,4-Dimethylpiperazin-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 113909841

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one (CID 107043025) is 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1Cc1nnn(C)n1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is OVWMMNIPNTYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(16)6-9-4-3-5-15(9)7-10-11-13-14(2)12-10/h9H,3-7H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 107043025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).