1-amino-6-(2H-tetrazol-5-yl)hexan-3-one

C7H13N5O — CID 167706452

IUPAC1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
SMILESNCCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c8-5-4-6(13)2-1-3-7-9-11-12-10-7/h1-5,8H2,(H,9,10,11,12)
InChIKeyZEBNLBQKSNLREJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.56
Rot. Bonds6

About 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one

1-amino-6-(2H-tetrazol-5-yl)hexan-3-one (PubChem CID 167706452) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one.

Molecular Properties

Compound Name1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
PubChem CID167706452
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
SMILESNCCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c8-5-4-6(13)2-1-3-7-9-11-12-10-7/h1-5,8H2,(H,9,10,11,12)
InChIKeyZEBNLBQKSNLREJ-UHFFFAOYSA-N
XLogP-0.56
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
triethyl-[3-oxo-6-(2H-tetrazol-5-yl)hexyl]azanium
CID 167598954
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(3-fluoropropyl)-2H-tetrazole
CID 81109495
5-pentyl-2H-tetrazole
CID 139080284
2H-tetrazol-5-ylmethanamine
CID 5146781
N-methylsulfonyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 130331563
2H-tetrazol-5-ylmethyl carbamate
CID 175043654
[3-oxo-3-[2-(2H-tetrazol-5-yl)ethoxy]propyl]-triphenylphosphanium
CID 164942741
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162
1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea
CID 174468123
N-methoxysulfinyl-16-(2H-tetrazol-5-yl)hexadecanamide
CID 163659727

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one?
The IUPAC name of 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one (CID 167706452) is 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one.
What is the SMILES notation for 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one?
The canonical SMILES for 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one is NCCC(=O)CCCc1nn[nH]n1.
What is the InChIKey of 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one?
The InChIKey is ZEBNLBQKSNLREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-5-4-6(13)2-1-3-7-9-11-12-10-7/h1-5,8H2,(H,9,10,11,12).
What are the key properties of 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one?
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(2H-tetrazol-5-yl)hexan-3-one is sourced from PubChem (CID 167706452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).