1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

C11H14N6O — CID 47033827

IUPAC1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)N(C)C)cc1-n1cnnn1
InChIInChI=1S/C11H14N6O/c1-8-4-5-9(13-11(18)16(2)3)6-10(8)17-7-12-14-15-17/h4-7H,1-3H3,(H,13,18)
InChIKeySJRFORJDIKXNPB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.06
Rot. Bonds2

About 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (PubChem CID 47033827) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
PubChem CID47033827
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)N(C)C)cc1-n1cnnn1
InChIInChI=1S/C11H14N6O/c1-8-4-5-9(13-11(18)16(2)3)6-10(8)17-7-12-14-15-17/h4-7H,1-3H3,(H,13,18)
InChIKeySJRFORJDIKXNPB-UHFFFAOYSA-N
XLogP1.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
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CID 855944
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
CID 75397346
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (CID 47033827) is 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is Cc1ccc(NC(=O)N(C)C)cc1-n1cnnn1.
What is the InChIKey of 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is SJRFORJDIKXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8-4-5-9(13-11(18)16(2)3)6-10(8)17-7-12-14-15-17/h4-7H,1-3H3,(H,13,18).
What are the key properties of 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 246.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 47033827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).