(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine

C15H20ClN5O — CID 97287765

IUPAC(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESN[C@H](c1ccc(Cl)cc1)c1n[nH]c(CCN2CCOCC2)n1
InChIInChI=1S/C15H20ClN5O/c16-12-3-1-11(2-4-12)14(17)15-18-13(19-20-15)5-6-21-7-9-22-10-8-21/h1-4,14H,5-10,17H2,(H,18,19,20)/t14-/m1/s1
InChIKeyIUVZTHAGERCKNA-CQSZACIVSA-N
MW321.81 g/mol
LogP1.38
Rot. Bonds5

About (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine

(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine (PubChem CID 97287765) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
PubChem CID97287765
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESN[C@H](c1ccc(Cl)cc1)c1n[nH]c(CCN2CCOCC2)n1
InChIInChI=1S/C15H20ClN5O/c16-12-3-1-11(2-4-12)14(17)15-18-13(19-20-15)5-6-21-7-9-22-10-8-21/h1-4,14H,5-10,17H2,(H,18,19,20)/t14-/m1/s1
InChIKeyIUVZTHAGERCKNA-CQSZACIVSA-N
XLogP1.38
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

(S)-(4-methoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287488
(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97288321
(S)-(4-chlorophenyl)-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287763
3-(4-chlorophenyl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
CID 56696930
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 35052035
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
3-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857394
[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethanamine;dihydrochloride
CID 12805085
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
(S)-(4-chlorophenyl)-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287717
(4-chlorophenyl)-dimethyl-(6-morpholin-4-ylhexyl)silane
CID 67892694

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine (CID 97287765) is (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine is N[C@H](c1ccc(Cl)cc1)c1n[nH]c(CCN2CCOCC2)n1.
What is the InChIKey of (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IUVZTHAGERCKNA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20ClN5O/c16-12-3-1-11(2-4-12)14(17)15-18-13(19-20-15)5-6-21-7-9-22-10-8-21/h1-4,14H,5-10,17H2,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine has a molecular weight of 321.81 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 97287765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).