(1-methyltetrazol-5-yl)urea

C3H6N6O — CID 130674530

IUPAC(1-methyltetrazol-5-yl)urea
SMILESCn1nnnc1NC(N)=O
InChIInChI=1S/C3H6N6O/c1-9-3(5-2(4)10)6-7-8-9/h1H3,(H3,4,5,6,8,10)
InChIKeyIMWNRXTZLSCIRM-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.30
Rot. Bonds1

About (1-methyltetrazol-5-yl)urea

(1-methyltetrazol-5-yl)urea (PubChem CID 130674530) has the molecular formula C3H6N6O and a molecular weight of 142.12 g/mol. Its IUPAC name is (1-methyltetrazol-5-yl)urea.

Molecular Properties

Compound Name(1-methyltetrazol-5-yl)urea
PubChem CID130674530
Molecular FormulaC3H6N6O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name(1-methyltetrazol-5-yl)urea
SMILESCn1nnnc1NC(N)=O
InChIInChI=1S/C3H6N6O/c1-9-3(5-2(4)10)6-7-8-9/h1H3,(H3,4,5,6,8,10)
InChIKeyIMWNRXTZLSCIRM-UHFFFAOYSA-N
XLogP-1.30
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(1-methyltetrazol-5-yl)urea
CID 130735572
2-bromo-N-(1-methyltetrazol-5-yl)acetamide
CID 155684843
methyl 2-[(1-methyltetrazol-5-yl)amino]propanoate
CID 63152412
1-(1-methyltetrazol-5-yl)-3-prop-2-enylurea
CID 130693199
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
(2S,3S)-N-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 138021559
2-cyclopropyl-2-methoxy-N-(1-methyltetrazol-5-yl)acetamide
CID 139019257
2-methyl-3-N-(1-methyltetrazol-5-yl)benzene-6-ide-1,3-dicarboxamide;yttrium
CID 177043614
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546
5-bromo-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
CID 925603
2-[(1-methyltetrazol-5-yl)amino]ethanol
CID 63152176

Frequently Asked Questions

What is the IUPAC name of (1-methyltetrazol-5-yl)urea?
The IUPAC name of (1-methyltetrazol-5-yl)urea (CID 130674530) is (1-methyltetrazol-5-yl)urea.
What is the SMILES notation for (1-methyltetrazol-5-yl)urea?
The canonical SMILES for (1-methyltetrazol-5-yl)urea is Cn1nnnc1NC(N)=O.
What is the InChIKey of (1-methyltetrazol-5-yl)urea?
The InChIKey is IMWNRXTZLSCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O/c1-9-3(5-2(4)10)6-7-8-9/h1H3,(H3,4,5,6,8,10).
What are the key properties of (1-methyltetrazol-5-yl)urea?
(1-methyltetrazol-5-yl)urea has a molecular weight of 142.12 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltetrazol-5-yl)urea is sourced from PubChem (CID 130674530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).