3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C9H17N5O — CID 107062284

IUPAC3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-4-9(10,5-2)7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3
InChIKeyPWDRRSIPASOHEC-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.16
Rot. Bonds5

About 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107062284) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107062284
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-4-9(10,5-2)7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3
InChIKeyPWDRRSIPASOHEC-UHFFFAOYSA-N
XLogP-0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-4,4,4-trifluoro-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107062287
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
3-(Dimethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047217
3-(Dimethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047230
3-(Diethylamino)-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047232
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061744
1-(1-Aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061761
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061789
3-Amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061801

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107062284) is 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CCC(N)(CC)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is PWDRRSIPASOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-9(10,5-2)7(15)6-8-11-13-14(3)12-8/h4-6,10H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).