2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide

C21H23N7O — CID 166371818

IUPAC2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)nn2)cc1
InChIInChI=1S/C21H23N7O/c1-3-14-4-6-15(7-5-14)13(2)23-20(29)12-28-11-19(25-27-28)16-8-9-17-18(10-16)24-26-21(17)22/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H3,22,24,26)
InChIKeyMHTAJSZZXPJWSV-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide

2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 166371818) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID166371818
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)nn2)cc1
InChIInChI=1S/C21H23N7O/c1-3-14-4-6-15(7-5-14)13(2)23-20(29)12-28-11-19(25-27-28)16-8-9-17-18(10-16)24-26-21(17)22/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H3,22,24,26)
InChIKeyMHTAJSZZXPJWSV-UHFFFAOYSA-N
XLogP2.84
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 115459105
2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 167845747
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
2-[4-(aminomethyl)triazol-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 115460194
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7169591
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 166371818) is 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)nn2)cc1.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is MHTAJSZZXPJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-3-14-4-6-15(7-5-14)13(2)23-20(29)12-28-11-19(25-27-28)16-8-9-17-18(10-16)24-26-21(17)22/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H3,22,24,26).
What are the key properties of 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-indazol-6-yl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 166371818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).