2H-tetrazol-5-ylmethyl carbamate

C3H5N5O2 — CID 175043654

IUPAC2H-tetrazol-5-ylmethyl carbamate
SMILESNC(=O)OCc1nn[nH]n1
InChIInChI=1S/C3H5N5O2/c4-3(9)10-1-2-5-7-8-6-2/h1H2,(H2,4,9)(H,5,6,7,8)
InChIKeyCOMHDQZOUQWWAU-UHFFFAOYSA-N
MW143.11 g/mol
LogP-1.21
Rot. Bonds2

About 2H-tetrazol-5-ylmethyl carbamate

2H-tetrazol-5-ylmethyl carbamate (PubChem CID 175043654) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is 2H-tetrazol-5-ylmethyl carbamate.

Molecular Properties

Compound Name2H-tetrazol-5-ylmethyl carbamate
PubChem CID175043654
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC Name2H-tetrazol-5-ylmethyl carbamate
SMILESNC(=O)OCc1nn[nH]n1
InChIInChI=1S/C3H5N5O2/c4-3(9)10-1-2-5-7-8-6-2/h1H2,(H2,4,9)(H,5,6,7,8)
InChIKeyCOMHDQZOUQWWAU-UHFFFAOYSA-N
XLogP-1.21
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate
CID 68921663
5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
CID 155579956
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
CID 143723114
2H-tetrazol-5-ylmethanamine
CID 5146781
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452
methyl 2-(2H-tetrazol-5-ylmethylamino)butanoate
CID 115353294

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazol-5-ylmethyl carbamate?
The IUPAC name of 2H-tetrazol-5-ylmethyl carbamate (CID 175043654) is 2H-tetrazol-5-ylmethyl carbamate.
What is the SMILES notation for 2H-tetrazol-5-ylmethyl carbamate?
The canonical SMILES for 2H-tetrazol-5-ylmethyl carbamate is NC(=O)OCc1nn[nH]n1.
What is the InChIKey of 2H-tetrazol-5-ylmethyl carbamate?
The InChIKey is COMHDQZOUQWWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c4-3(9)10-1-2-5-7-8-6-2/h1H2,(H2,4,9)(H,5,6,7,8).
What are the key properties of 2H-tetrazol-5-ylmethyl carbamate?
2H-tetrazol-5-ylmethyl carbamate has a molecular weight of 143.11 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazol-5-ylmethyl carbamate is sourced from PubChem (CID 175043654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).