4-(2H-tetrazol-5-yl)butylcarbamic acid

C6H11N5O2 — CID 129117265

IUPAC4-(2H-tetrazol-5-yl)butylcarbamic acid
SMILESO=C(O)NCCCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O2/c12-6(13)7-4-2-1-3-5-8-10-11-9-5/h7H,1-4H2,(H,12,13)(H,8,9,10,11)
InChIKeyPXOYAXMYFSZJKV-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.21
Rot. Bonds5

About 4-(2H-tetrazol-5-yl)butylcarbamic acid

4-(2H-tetrazol-5-yl)butylcarbamic acid (PubChem CID 129117265) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)butylcarbamic acid.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)butylcarbamic acid
PubChem CID129117265
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name4-(2H-tetrazol-5-yl)butylcarbamic acid
SMILESO=C(O)NCCCCc1nn[nH]n1
InChIInChI=1S/C6H11N5O2/c12-6(13)7-4-2-1-3-5-8-10-11-9-5/h7H,1-4H2,(H,12,13)(H,8,9,10,11)
InChIKeyPXOYAXMYFSZJKV-UHFFFAOYSA-N
XLogP-0.21
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)butylcarbamic acid?
The IUPAC name of 4-(2H-tetrazol-5-yl)butylcarbamic acid (CID 129117265) is 4-(2H-tetrazol-5-yl)butylcarbamic acid.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)butylcarbamic acid?
The canonical SMILES for 4-(2H-tetrazol-5-yl)butylcarbamic acid is O=C(O)NCCCCc1nn[nH]n1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)butylcarbamic acid?
The InChIKey is PXOYAXMYFSZJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c12-6(13)7-4-2-1-3-5-8-10-11-9-5/h7H,1-4H2,(H,12,13)(H,8,9,10,11).
What are the key properties of 4-(2H-tetrazol-5-yl)butylcarbamic acid?
4-(2H-tetrazol-5-yl)butylcarbamic acid has a molecular weight of 185.19 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)butylcarbamic acid is sourced from PubChem (CID 129117265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).