N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide

C16H19N5O2 — CID 58711982

IUPACN-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Nc2ncc(C(C)NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H19N5O2/c1-10(18-15(22)11-3-4-11)14-9-17-16(21-20-14)19-12-5-7-13(23-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,18,22)(H,17,19,21)
InChIKeyQJPWISGHLPEMRP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.21
Rot. Bonds6

About N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide

N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide (PubChem CID 58711982) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide
PubChem CID58711982
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(Nc2ncc(C(C)NC(=O)C3CC3)nn2)cc1
InChIInChI=1S/C16H19N5O2/c1-10(18-15(22)11-3-4-11)14-9-17-16(21-20-14)19-12-5-7-13(23-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,18,22)(H,17,19,21)
InChIKeyQJPWISGHLPEMRP-UHFFFAOYSA-N
XLogP2.21
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl N-(2-methylpropyl)carbamate
CID 91197549
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
1-[1-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]propan-2-yl]piperidine-4-carboxylic acid
CID 69293280
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 169417638
1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 132667894

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide (CID 58711982) is N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide is COc1ccc(Nc2ncc(C(C)NC(=O)C3CC3)nn2)cc1.
What is the InChIKey of N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is QJPWISGHLPEMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(18-15(22)11-3-4-11)14-9-17-16(21-20-14)19-12-5-7-13(23-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,18,22)(H,17,19,21).
What are the key properties of N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide?
N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methoxyanilino)-1,2,4-triazin-6-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 58711982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).