N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

C14H16ClN5O2 — CID 30298469

IUPACN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(Nc2cnnc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C14H16ClN5O2/c1-21-12-3-2-10(8-11(12)15)17-13-9-16-19-14(18-13)20-4-6-22-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,17,18,19)
InChIKeyQEJHBCHKCGCSGP-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.11
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine

N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (PubChem CID 30298469) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
PubChem CID30298469
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(Nc2cnnc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C14H16ClN5O2/c1-21-12-3-2-10(8-11(12)15)17-13-9-16-19-14(18-13)20-4-6-22-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,17,18,19)
InChIKeyQEJHBCHKCGCSGP-UHFFFAOYSA-N
XLogP2.11
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944290
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
5-N-(3-chloro-4-methoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961665
3-N-(3-chloro-4-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961559
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112958361
5-N-(3-chloro-4-methoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963579
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966875
3-N-(3-chloro-4-methoxyphenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966884

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine (CID 30298469) is N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is COc1ccc(Nc2cnnc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
The InChIKey is QEJHBCHKCGCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-21-12-3-2-10(8-11(12)15)17-13-9-16-19-14(18-13)20-4-6-22-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine?
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine has a molecular weight of 321.77 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 30298469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).