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

C12H16N6O — CID 66275396

IUPACN-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2n[nH]c(N)n2)c1
InChIInChI=1S/C12H16N6O/c1-7(14-12-16-11(13)17-18-12)9-4-3-5-10(6-9)15-8(2)19/h3-7H,1-2H3,(H,15,19)(H4,13,14,16,17,18)
InChIKeyJRRTWUGKIWDWKO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.52
Rot. Bonds4

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

N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide (PubChem CID 66275396) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
PubChem CID66275396
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2n[nH]c(N)n2)c1
InChIInChI=1S/C12H16N6O/c1-7(14-12-16-11(13)17-18-12)9-4-3-5-10(6-9)15-8(2)19/h3-7H,1-2H3,(H,15,19)(H4,13,14,16,17,18)
InChIKeyJRRTWUGKIWDWKO-UHFFFAOYSA-N
XLogP1.52
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
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N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
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CID 54880254
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide (CID 66275396) is N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2n[nH]c(N)n2)c1.
What is the InChIKey of N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is JRRTWUGKIWDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7(14-12-16-11(13)17-18-12)9-4-3-5-10(6-9)15-8(2)19/h3-7H,1-2H3,(H,15,19)(H4,13,14,16,17,18).
What are the key properties of N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 66275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).