3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one

C9H17N5O — CID 107061843

IUPAC3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCCCCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-3-4-5-7(10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3
InChIKeyUXDWETCLNNKFNT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.16
Rot. Bonds6

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

3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one (PubChem CID 107061843) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
PubChem CID107061843
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCCCCC(N)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-3-4-5-7(10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3
InChIKeyUXDWETCLNNKFNT-UHFFFAOYSA-N
XLogP-0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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-5-methylsulfonyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061779
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
5-butyl-2-methyltetrazole;ethane
CID 144800630
6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054841
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107043232
[3-ethyl-1-(2-methyltetrazol-5-yl)heptan-2-yl]hydrazine
CID 107066910
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The IUPAC name of 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one (CID 107061843) is 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one.
What is the SMILES notation for 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The canonical SMILES for 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one is CCCCC(N)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
The InChIKey is UXDWETCLNNKFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-4-5-7(10)8(15)6-9-11-13-14(2)12-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one?
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one is sourced from PubChem (CID 107061843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).