1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea

C13H23N5O — CID 83117026

IUPAC1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNC1CCCc2c1cnn2C
InChIInChI=1S/C13H23N5O/c1-17(2)13(19)15-8-7-14-11-5-4-6-12-10(11)9-16-18(12)3/h9,11,14H,4-8H2,1-3H3,(H,15,19)
InChIKeyWLURJTPIUAPAEM-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.66
Rot. Bonds4

About 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea

1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea (PubChem CID 83117026) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
PubChem CID83117026
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNC1CCCc2c1cnn2C
InChIInChI=1S/C13H23N5O/c1-17(2)13(19)15-8-7-14-11-5-4-6-12-10(11)9-16-18(12)3/h9,11,14H,4-8H2,1-3H3,(H,15,19)
InChIKeyWLURJTPIUAPAEM-UHFFFAOYSA-N
XLogP0.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(2-methylsulfinylethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115720859
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-(2-ethylsulfinylethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115719018
1-methyl-N-(3-methylsulfinylbutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115894424
N-[3-(2-methoxyethoxy)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254676
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 103905391
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
CID 63316834

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea (CID 83117026) is 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea is CN(C)C(=O)NCCNC1CCCc2c1cnn2C.
What is the InChIKey of 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea?
The InChIKey is WLURJTPIUAPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17(2)13(19)15-8-7-14-11-5-4-6-12-10(11)9-16-18(12)3/h9,11,14H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea?
1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea has a molecular weight of 265.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]urea is sourced from PubChem (CID 83117026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).