1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea

C10H11ClN6O — CID 110874649

IUPAC1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
SMILESCn1nnnc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN6O/c1-17-9(14-15-16-17)6-12-10(18)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,18)
InChIKeyPPTURBPVKLBDOI-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.19
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea (PubChem CID 110874649) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
PubChem CID110874649
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
SMILESCn1nnnc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN6O/c1-17-9(14-15-16-17)6-12-10(18)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,18)
InChIKeyPPTURBPVKLBDOI-UHFFFAOYSA-N
XLogP1.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507
1-(3-chlorophenyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 110775115
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896470
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea (CID 110874649) is 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea is Cn1nnnc1CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea?
The InChIKey is PPTURBPVKLBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O/c1-17-9(14-15-16-17)6-12-10(18)13-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3,(H2,12,13,18).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea has a molecular weight of 266.69 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 110874649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).