1-methyl-3-(1-methyltetrazol-5-yl)urea

C4H8N6O — CID 130735572

IUPAC1-methyl-3-(1-methyltetrazol-5-yl)urea
SMILESCNC(=O)Nc1nnnn1C
InChIInChI=1S/C4H8N6O/c1-5-4(11)6-3-7-8-9-10(3)2/h1-2H3,(H2,5,6,7,9,11)
InChIKeyZFKVKURGLVVCRN-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.04
Rot. Bonds1

About 1-methyl-3-(1-methyltetrazol-5-yl)urea

1-methyl-3-(1-methyltetrazol-5-yl)urea (PubChem CID 130735572) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-methyl-3-(1-methyltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-methyltetrazol-5-yl)urea
PubChem CID130735572
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1-methyl-3-(1-methyltetrazol-5-yl)urea
SMILESCNC(=O)Nc1nnnn1C
InChIInChI=1S/C4H8N6O/c1-5-4(11)6-3-7-8-9-10(3)2/h1-2H3,(H2,5,6,7,9,11)
InChIKeyZFKVKURGLVVCRN-UHFFFAOYSA-N
XLogP-1.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyltetrazol-5-yl)urea?
The IUPAC name of 1-methyl-3-(1-methyltetrazol-5-yl)urea (CID 130735572) is 1-methyl-3-(1-methyltetrazol-5-yl)urea.
What is the SMILES notation for 1-methyl-3-(1-methyltetrazol-5-yl)urea?
The canonical SMILES for 1-methyl-3-(1-methyltetrazol-5-yl)urea is CNC(=O)Nc1nnnn1C.
What is the InChIKey of 1-methyl-3-(1-methyltetrazol-5-yl)urea?
The InChIKey is ZFKVKURGLVVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c1-5-4(11)6-3-7-8-9-10(3)2/h1-2H3,(H2,5,6,7,9,11).
What are the key properties of 1-methyl-3-(1-methyltetrazol-5-yl)urea?
1-methyl-3-(1-methyltetrazol-5-yl)urea has a molecular weight of 156.15 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyltetrazol-5-yl)urea is sourced from PubChem (CID 130735572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).