N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide

C19H26N6O4 — CID 87264010

IUPACN-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nncc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N6O4/c1-3-4-5-6-15(12-25(28)13-26)18(27)22-24-19-21-17(11-20-23-19)14-7-9-16(29-2)10-8-14/h7-11,13,15,28H,3-6,12H2,1-2H3,(H,22,27)(H,21,23,24)/t15-/m1/s1
InChIKeyKHRWQQCHEOJULL-OAHLLOKOSA-N
MW402.46 g/mol
LogP2.03
Rot. Bonds12

About N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 87264010) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide
PubChem CID87264010
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC NameN-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nncc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H26N6O4/c1-3-4-5-6-15(12-25(28)13-26)18(27)22-24-19-21-17(11-20-23-19)14-7-9-16(29-2)10-8-14/h7-11,13,15,28H,3-6,12H2,1-2H3,(H,22,27)(H,21,23,24)/t15-/m1/s1
InChIKeyKHRWQQCHEOJULL-OAHLLOKOSA-N
XLogP2.03
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
Acetic acid, 2-(5-(4-methoxyphenyl)-3-as-triazinyl)hydrazide
CID 3053956
(1E,2E)-2-methyl-3-phenylacrylaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9702984
(4E)-4-({2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-YL}methylidene)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 135894147
1-(2-{[5-(3-Fluoro-4-methoxyphenyl)-1,2,4-triazin-3-yl]amino}ethyl)-2-piperidinone
CID 42362440
N-isopropyl-2-{4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-1-piperazinyl}acetamide
CID 26397087
N~2~-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazin-3-yl]-L-leucinamide
CID 42361087
4-[[[5-(3-Fluoro-4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45207134
5-(4-Methoxyphenyl)-3-[(2E)-2-[(2E)-3-phenylprop-2-EN-1-ylidene]hydrazin-1-YL]-1,2,4-triazine
CID 9776886
1-[2-[[5-(4-Methoxyphenyl)-1,2,4-triazin-3-yl]amino]ethyl]piperidin-2-one
CID 25301649
1-(3-{[5-(4-Methoxyphenyl)-1,2,4-triazin-3-yl]amino}propyl)-2-pyrrolidinone
CID 42152010
(3S)-3-{[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino}-2-azepanone
CID 42241601

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide (CID 87264010) is N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nncc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is KHRWQQCHEOJULL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-3-4-5-6-15(12-25(28)13-26)18(27)22-24-19-21-17(11-20-23-19)14-7-9-16(29-2)10-8-14/h7-11,13,15,28H,3-6,12H2,1-2H3,(H,22,27)(H,21,23,24)/t15-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 402.46 g/mol, XLogP of 2.03, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).