N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine

C16H22ClN5O3 — CID 154754908

IUPACN-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C16H22ClN5O3/c1-23-16-19-15(20-21-16)18-11-12-2-3-14(13(17)10-12)25-9-6-22-4-7-24-8-5-22/h2-3,10H,4-9,11H2,1H3,(H2,18,19,20,21)
InChIKeyPQMUGFRUNYIYGA-UHFFFAOYSA-N
MW367.84 g/mol
LogP1.79
Rot. Bonds8

About N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine

N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine (PubChem CID 154754908) has the molecular formula C16H22ClN5O3 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine
PubChem CID154754908
Molecular FormulaC16H22ClN5O3
Molecular Weight367.84 g/mol
Exact Mass367.14
IUPAC NameN-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine
SMILESCOc1n[nH]c(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C16H22ClN5O3/c1-23-16-19-15(20-21-16)18-11-12-2-3-14(13(17)10-12)25-9-6-22-4-7-24-8-5-22/h2-3,10H,4-9,11H2,1H3,(H2,18,19,20,21)
InChIKeyPQMUGFRUNYIYGA-UHFFFAOYSA-N
XLogP1.79
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine with MolForge

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Related Compounds

4-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122127082
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
1-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909283
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
3-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]-2-methylpropanoic acid
CID 122047210
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
4-[2-(2-tert-butyl-5-ethylphenoxy)ethyl]morpholine
CID 71106404
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096000

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine (CID 154754908) is N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine is COc1n[nH]c(NCc2ccc(OCCN3CCOCC3)c(Cl)c2)n1.
What is the InChIKey of N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine?
The InChIKey is PQMUGFRUNYIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O3/c1-23-16-19-15(20-21-16)18-11-12-2-3-14(13(17)10-12)25-9-6-22-4-7-24-8-5-22/h2-3,10H,4-9,11H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine?
N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine has a molecular weight of 367.84 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-methoxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 154754908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).