N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide

C18H17ClN6O — CID 112950562

IUPACN-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(NCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H17ClN6O/c1-12(26)22-15-3-2-4-16(9-15)23-18-24-17(11-21-25-18)20-10-13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,22,26)(H2,20,23,24,25)
InChIKeyDGZXHWHXZNEPFO-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.84
Rot. Bonds6

About N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide

N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112950562) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112950562
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(NCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H17ClN6O/c1-12(26)22-15-3-2-4-16(9-15)23-18-24-17(11-21-25-18)20-10-13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,22,26)(H2,20,23,24,25)
InChIKeyDGZXHWHXZNEPFO-UHFFFAOYSA-N
XLogP3.84
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-(pyridin-3-ylmethylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112952262
5-N-[(4-chlorophenyl)methyl]-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112950572
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
N-[3-[[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112966681
3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112950591
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
N-[3-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112956445
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949
N-[3-[[5-(5-chloro-2-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112966903
1-[3-[[5-(4-chloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112966020
N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112965022
3-N-(3-methoxyphenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951108

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112950562) is N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nncc(NCc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is DGZXHWHXZNEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-12(26)22-15-3-2-4-16(9-15)23-18-24-17(11-21-25-18)20-10-13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H,22,26)(H2,20,23,24,25).
What are the key properties of N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 368.83 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112950562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).