1-methyl-1-(2H-tetrazol-5-yl)urea

C3H6N6O — CID 68765410

IUPAC1-methyl-1-(2H-tetrazol-5-yl)urea
SMILESCN(C(N)=O)c1nn[nH]n1
InChIInChI=1S/C3H6N6O/c1-9(2(4)10)3-5-7-8-6-3/h1H3,(H2,4,10)(H,5,6,7,8)
InChIKeyDEAPMUNHGDSSHX-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.29
Rot. Bonds1

About 1-methyl-1-(2H-tetrazol-5-yl)urea

1-methyl-1-(2H-tetrazol-5-yl)urea (PubChem CID 68765410) has the molecular formula C3H6N6O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-methyl-1-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2H-tetrazol-5-yl)urea
PubChem CID68765410
Molecular FormulaC3H6N6O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1-methyl-1-(2H-tetrazol-5-yl)urea
SMILESCN(C(N)=O)c1nn[nH]n1
InChIInChI=1S/C3H6N6O/c1-9(2(4)10)3-5-7-8-6-3/h1H3,(H2,4,10)(H,5,6,7,8)
InChIKeyDEAPMUNHGDSSHX-UHFFFAOYSA-N
XLogP-1.29
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-methyl-1-(2H-tetrazol-5-yl)urea (CID 68765410) is 1-methyl-1-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-(2H-tetrazol-5-yl)urea is CN(C(N)=O)c1nn[nH]n1.
What is the InChIKey of 1-methyl-1-(2H-tetrazol-5-yl)urea?
The InChIKey is DEAPMUNHGDSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O/c1-9(2(4)10)3-5-7-8-6-3/h1H3,(H2,4,10)(H,5,6,7,8).
What are the key properties of 1-methyl-1-(2H-tetrazol-5-yl)urea?
1-methyl-1-(2H-tetrazol-5-yl)urea has a molecular weight of 142.12 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 68765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).