2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid

C7H13N5O2 — CID 68755649

IUPAC2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid
SMILESCC(C)n1nnnc1CCNC(=O)O
InChIInChI=1S/C7H13N5O2/c1-5(2)12-6(9-10-11-12)3-4-8-7(13)14/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyITNLOPFWJJAPER-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.06
Rot. Bonds4

About 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid

2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid (PubChem CID 68755649) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid
PubChem CID68755649
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid
SMILESCC(C)n1nnnc1CCNC(=O)O
InChIInChI=1S/C7H13N5O2/c1-5(2)12-6(9-10-11-12)3-4-8-7(13)14/h5,8H,3-4H2,1-2H3,(H,13,14)
InChIKeyITNLOPFWJJAPER-UHFFFAOYSA-N
XLogP0.06
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid (CID 68755649) is 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid is CC(C)n1nnnc1CCNC(=O)O.
What is the InChIKey of 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid?
The InChIKey is ITNLOPFWJJAPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-5(2)12-6(9-10-11-12)3-4-8-7(13)14/h5,8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid?
2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid has a molecular weight of 199.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 68755649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).