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

C19H18N6O2 — CID 20789098

IUPACN-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2/c1-12(26)20-7-8-27-15-4-2-3-13(9-15)18-16-10-14(19-21-11-22-25-19)5-6-17(16)23-24-18/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25)
InChIKeyITJZLFAMQURHES-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide (PubChem CID 20789098) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide
PubChem CID20789098
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C19H18N6O2/c1-12(26)20-7-8-27-15-4-2-3-13(9-15)18-16-10-14(19-21-11-22-25-19)5-6-17(16)23-24-18/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25)
InChIKeyITJZLFAMQURHES-UHFFFAOYSA-N
XLogP2.53
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Cc-401
CID 10430360
2-[3-[1-methyl-4-[4-(1H-pyrazol-4-yl)anilino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-N-propan-2-ylacetamide
CID 124159110
N-propyl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenoxy]acetamide
CID 124159155
N,N-diethyl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenoxy]acetamide
CID 124159304
N-propan-2-yl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenoxy]acetamide
CID 124159435
2-[3-[1-methyl-7-[4-(1H-pyrazol-4-yl)anilino]pyrazolo[4,5-d]pyrimidin-5-yl]phenoxy]-N-propan-2-ylacetamide
CID 124159145
1-[(2R)-2-[3-(1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68691051
15-Oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
CID 153295744
{2-[4-(5-(1H-1,2,4-Triazol-5-YL)(1H-indazol-3-YL))phenoxy]ethyl}dimethylamine
CID 10315725
3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11617071
1-(5-(1H-1,2,4-triazol-5-yl)(1H-indazol-3-yl))-3-(2-morpholin-4-ylethoxy)benzene
CID 11710858
({3-[3-(4-Methoxyphenyl)(1H-indazol-5-YL)](1H-1,2,4-triazol-5-YL)}methyl)dimethylamine
CID 20789021

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide (CID 20789098) is N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide?
The InChIKey is ITJZLFAMQURHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(26)20-7-8-27-15-4-2-3-13(9-15)18-16-10-14(19-21-11-22-25-19)5-6-17(16)23-24-18/h2-6,9-11H,7-8H2,1H3,(H,20,26)(H,23,24)(H,21,22,25).
What are the key properties of N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide?
N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 20789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).