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

C15H18N6O — CID 112941370

IUPACN-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(N3CCCC3)n2)c1
InChIInChI=1S/C15H18N6O/c1-11(22)17-12-5-4-6-13(9-12)18-14-10-16-20-15(19-14)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyNLAFKQAFLUTMOR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.17
Rot. Bonds4

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

N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide (PubChem CID 112941370) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
PubChem CID112941370
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(N3CCCC3)n2)c1
InChIInChI=1S/C15H18N6O/c1-11(22)17-12-5-4-6-13(9-12)18-14-10-16-20-15(19-14)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyNLAFKQAFLUTMOR-UHFFFAOYSA-N
XLogP2.17
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]benzoate
CID 112942135
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
1-[4-[(3-piperidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]ethanone
CID 112942131
N-[4-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112946430
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112956656
1-[4-[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947154
3-(azepan-1-yl)-N-(1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 112961433

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide (CID 112941370) is N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cnnc(N3CCCC3)n2)c1.
What is the InChIKey of N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide?
The InChIKey is NLAFKQAFLUTMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(22)17-12-5-4-6-13(9-12)18-14-10-16-20-15(19-14)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide?
N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-pyrrolidin-1-yl-1,2,4-triazin-5-yl)amino]phenyl]acetamide is sourced from PubChem (CID 112941370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).