8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine

C18H16ClN7O — CID 178009294

IUPAC8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(COc2cnc(-c3cccc(Cl)c3)c3ncnc(N)c23)nn1C
InChIInChI=1S/C18H16ClN7O/c1-10-24-14(25-26(10)2)8-27-13-7-21-16(11-4-3-5-12(19)6-11)17-15(13)18(20)23-9-22-17/h3-7,9H,8H2,1-2H3,(H2,20,22,23)
InChIKeyDFMIDHXMPBTUQL-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.94
Rot. Bonds4

About 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine

8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 178009294) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID178009294
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(COc2cnc(-c3cccc(Cl)c3)c3ncnc(N)c23)nn1C
InChIInChI=1S/C18H16ClN7O/c1-10-24-14(25-26(10)2)8-27-13-7-21-16(11-4-3-5-12(19)6-11)17-15(13)18(20)23-9-22-17/h3-7,9H,8H2,1-2H3,(H2,20,22,23)
InChIKeyDFMIDHXMPBTUQL-UHFFFAOYSA-N
XLogP2.94
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009446
CID 178009175
CID 178009175
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704
8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
CID 178009496
4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
CID 82374863
5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
CID 142278551
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
2-[[4-(5-chloro-1,4-dimethylpyrazol-3-yl)-2-methylphenoxy]methyl]-6-methylaniline
CID 122626576
3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol
CID 69299114
5-(3-chlorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 53275759

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine (CID 178009294) is 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(COc2cnc(-c3cccc(Cl)c3)c3ncnc(N)c23)nn1C.
What is the InChIKey of 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DFMIDHXMPBTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-10-24-14(25-26(10)2)8-27-13-7-21-16(11-4-3-5-12(19)6-11)17-15(13)18(20)23-9-22-17/h3-7,9H,8H2,1-2H3,(H2,20,22,23).
What are the key properties of 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine?
8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 381.83 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 178009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).