1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

C18H17N7O — CID 11187101

IUPAC1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N7O/c1-2-19-18(26)22-13-5-3-4-11(8-13)16-14-9-12(17-20-10-21-25-17)6-7-15(14)23-24-16/h3-10H,2H2,1H3,(H,23,24)(H2,19,22,26)(H,20,21,25)
InChIKeyOJHYWKWNGMZGOW-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.16
Rot. Bonds4

About 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (PubChem CID 11187101) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
PubChem CID11187101
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H17N7O/c1-2-19-18(26)22-13-5-3-4-11(8-13)16-14-9-12(17-20-10-21-25-17)6-7-15(14)23-24-16/h3-10H,2H2,1H3,(H,23,24)(H2,19,22,26)(H,20,21,25)
InChIKeyOJHYWKWNGMZGOW-UHFFFAOYSA-N
XLogP3.16
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (CID 11187101) is 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea is CCNC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The InChIKey is OJHYWKWNGMZGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-19-18(26)22-13-5-3-4-11(8-13)16-14-9-12(17-20-10-21-25-17)6-7-15(14)23-24-16/h3-10H,2H2,1H3,(H,23,24)(H2,19,22,26)(H,20,21,25).
What are the key properties of 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea has a molecular weight of 347.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea is sourced from PubChem (CID 11187101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).