1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea

C14H21N5O — CID 91829802

IUPAC1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H21N5O/c1-3-19(4-2)8-7-15-14(20)17-12-6-5-11-10-16-18-13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyHOHQWIKXIFIHIG-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea

1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea (PubChem CID 91829802) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
PubChem CID91829802
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H21N5O/c1-3-19(4-2)8-7-15-14(20)17-12-6-5-11-10-16-18-13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H2,15,17,20)
InChIKeyHOHQWIKXIFIHIG-UHFFFAOYSA-N
XLogP2.03
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea (CID 91829802) is 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea is CCN(CC)CCNC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea?
The InChIKey is HOHQWIKXIFIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-19(4-2)8-7-15-14(20)17-12-6-5-11-10-16-18-13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)(H2,15,17,20).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea?
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea has a molecular weight of 275.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 91829802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).