1-amino-5-(2H-tetrazol-5-yl)pentan-2-one

C6H11N5O — CID 167627003

IUPAC1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
SMILESNCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c7-4-5(12)2-1-3-6-8-10-11-9-6/h1-4,7H2,(H,8,9,10,11)
InChIKeyNGCXHLGKKYKKGZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.95
Rot. Bonds5

About 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one

1-amino-5-(2H-tetrazol-5-yl)pentan-2-one (PubChem CID 167627003) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
PubChem CID167627003
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
SMILESNCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c7-4-5(12)2-1-3-6-8-10-11-9-6/h1-4,7H2,(H,8,9,10,11)
InChIKeyNGCXHLGKKYKKGZ-UHFFFAOYSA-N
XLogP-0.95
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452
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
2-(2H-tetrazol-5-yl)ethylphosphonic acid
CID 58953032
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea
CID 174468123

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one?
The IUPAC name of 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one (CID 167627003) is 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one?
The canonical SMILES for 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one is NCC(=O)CCCc1nn[nH]n1.
What is the InChIKey of 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one?
The InChIKey is NGCXHLGKKYKKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-4-5(12)2-1-3-6-8-10-11-9-6/h1-4,7H2,(H,8,9,10,11).
What are the key properties of 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one?
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one has a molecular weight of 169.19 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(2H-tetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 167627003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).