N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine

C23H29N7O2 — CID 134108275

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1ccccc1N1CCN(c2nc(NO)nc(NCCCc3ccccc3)n2)CC1
InChIInChI=1S/C23H29N7O2/c1-32-20-12-6-5-11-19(20)29-14-16-30(17-15-29)23-26-21(25-22(27-23)28-31)24-13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,31H,7,10,13-17H2,1H3,(H2,24,25,26,27,28)
InChIKeyAXIGDPGLHKUUTI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.05
Rot. Bonds9

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 134108275) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID134108275
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1ccccc1N1CCN(c2nc(NO)nc(NCCCc3ccccc3)n2)CC1
InChIInChI=1S/C23H29N7O2/c1-32-20-12-6-5-11-19(20)29-14-16-30(17-15-29)23-26-21(25-22(27-23)28-31)24-13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,31H,7,10,13-17H2,1H3,(H2,24,25,26,27,28)
InChIKeyAXIGDPGLHKUUTI-UHFFFAOYSA-N
XLogP3.05
TPSA98.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
2-[[4-(2-phenylethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 23872858
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
2-N-benzyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507121
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112893579
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
1-[4-(2-aminoethylamino)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
CID 155415195
2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile
CID 18753222

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 134108275) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine is COc1ccccc1N1CCN(c2nc(NO)nc(NCCCc3ccccc3)n2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is AXIGDPGLHKUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-32-20-12-6-5-11-19(20)29-14-16-30(17-15-29)23-26-21(25-22(27-23)28-31)24-13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,31H,7,10,13-17H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 435.53 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 134108275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).