1-(2H-tetrazol-5-yl)ethylcarbamic acid

C4H7N5O2 — CID 166729137

IUPAC1-(2H-tetrazol-5-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C4H7N5O2/c1-2(5-4(10)11)3-6-8-9-7-3/h2,5H,1H3,(H,10,11)(H,6,7,8,9)
InChIKeyRFGYOHXECGFDFR-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.47
Rot. Bonds2

About 1-(2H-tetrazol-5-yl)ethylcarbamic acid

1-(2H-tetrazol-5-yl)ethylcarbamic acid (PubChem CID 166729137) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)ethylcarbamic acid
PubChem CID166729137
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name1-(2H-tetrazol-5-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nn[nH]n1
InChIInChI=1S/C4H7N5O2/c1-2(5-4(10)11)3-6-8-9-7-3/h2,5H,1H3,(H,10,11)(H,6,7,8,9)
InChIKeyRFGYOHXECGFDFR-UHFFFAOYSA-N
XLogP-0.47
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)ethylcarbamic acid?
The IUPAC name of 1-(2H-tetrazol-5-yl)ethylcarbamic acid (CID 166729137) is 1-(2H-tetrazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 1-(2H-tetrazol-5-yl)ethylcarbamic acid is CC(NC(=O)O)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)ethylcarbamic acid?
The InChIKey is RFGYOHXECGFDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-2(5-4(10)11)3-6-8-9-7-3/h2,5H,1H3,(H,10,11)(H,6,7,8,9).
What are the key properties of 1-(2H-tetrazol-5-yl)ethylcarbamic acid?
1-(2H-tetrazol-5-yl)ethylcarbamic acid has a molecular weight of 157.13 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 166729137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).