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

C18H16N6O2 — CID 11772413

IUPACethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H16N6O2/c1-2-26-18(25)21-13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-24-17)6-7-15(14)22-23-16/h3-10H,2H2,1H3,(H,21,25)(H,22,23)(H,19,20,24)
InChIKeyIUIHWJOBYDWFCN-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.58
Rot. Bonds4

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

ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate (PubChem CID 11772413) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate
PubChem CID11772413
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Nameethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C18H16N6O2/c1-2-26-18(25)21-13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-24-17)6-7-15(14)22-23-16/h3-10H,2H2,1H3,(H,21,25)(H,22,23)(H,19,20,24)
InChIKeyIUIHWJOBYDWFCN-UHFFFAOYSA-N
XLogP3.58
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate (CID 11772413) is ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate?
The InChIKey is IUIHWJOBYDWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-2-26-18(25)21-13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-24-17)6-7-15(14)22-23-16/h3-10H,2H2,1H3,(H,21,25)(H,22,23)(H,19,20,24).
What are the key properties of ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate?
ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate has a molecular weight of 348.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate is sourced from PubChem (CID 11772413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).