1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea

C6H10N6O — CID 130693199

IUPAC1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nnnn1C
InChIInChI=1S/C6H10N6O/c1-3-4-7-6(13)8-5-9-10-11-12(5)2/h3H,1,4H2,2H3,(H2,7,8,9,11,13)
InChIKeyOJGZFJMWFMYWKH-UHFFFAOYSA-N
MW182.19 g/mol
LogP-0.48
Rot. Bonds3

About 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea

1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea (PubChem CID 130693199) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea
PubChem CID130693199
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nnnn1C
InChIInChI=1S/C6H10N6O/c1-3-4-7-6(13)8-5-9-10-11-12(5)2/h3H,1,4H2,2H3,(H2,7,8,9,11,13)
InChIKeyOJGZFJMWFMYWKH-UHFFFAOYSA-N
XLogP-0.48
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea (CID 130693199) is 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1nnnn1C.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea?
The InChIKey is OJGZFJMWFMYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-3-4-7-6(13)8-5-9-10-11-12(5)2/h3H,1,4H2,2H3,(H2,7,8,9,11,13).
What are the key properties of 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea?
1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea has a molecular weight of 182.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea is sourced from PubChem (CID 130693199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).