(1-methyltetrazol-5-yl) carbamate

C3H5N5O2 — CID 154524627

IUPAC(1-methyltetrazol-5-yl) carbamate
SMILESCn1nnnc1OC(N)=O
InChIInChI=1S/C3H5N5O2/c1-8-3(5-6-7-8)10-2(4)9/h1H3,(H2,4,9)
InChIKeyQOMDQUCXAMCMNM-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.33
Rot. Bonds1

About (1-methyltetrazol-5-yl) carbamate

(1-methyltetrazol-5-yl) carbamate (PubChem CID 154524627) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is (1-methyltetrazol-5-yl) carbamate.

Molecular Properties

Compound Name(1-methyltetrazol-5-yl) carbamate
PubChem CID154524627
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name(1-methyltetrazol-5-yl) carbamate
SMILESCn1nnnc1OC(N)=O
InChIInChI=1S/C3H5N5O2/c1-8-3(5-6-7-8)10-2(4)9/h1H3,(H2,4,9)
InChIKeyQOMDQUCXAMCMNM-UHFFFAOYSA-N
XLogP-1.33
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methyltetrazol-5-yl) carbamate?
The IUPAC name of (1-methyltetrazol-5-yl) carbamate (CID 154524627) is (1-methyltetrazol-5-yl) carbamate.
What is the SMILES notation for (1-methyltetrazol-5-yl) carbamate?
The canonical SMILES for (1-methyltetrazol-5-yl) carbamate is Cn1nnnc1OC(N)=O.
What is the InChIKey of (1-methyltetrazol-5-yl) carbamate?
The InChIKey is QOMDQUCXAMCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c1-8-3(5-6-7-8)10-2(4)9/h1H3,(H2,4,9).
What are the key properties of (1-methyltetrazol-5-yl) carbamate?
(1-methyltetrazol-5-yl) carbamate has a molecular weight of 143.11 g/mol, XLogP of -1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltetrazol-5-yl) carbamate is sourced from PubChem (CID 154524627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).