6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine

C19H19N7O3 — CID 163214076

IUPAC6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESCOc1cc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)cc(OC)c1OC
InChIInChI=1S/C19H19N7O3/c1-27-15-7-11(8-16(28-2)17(15)29-3)26-9-14(24-25-26)10-4-5-13-12(6-10)18(20)23-19(21)22-13/h4-9H,1-3H3,(H4,20,21,22,23)
InChIKeySWULRQWLALOGFO-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.07
Rot. Bonds5

About 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine

6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine (PubChem CID 163214076) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
PubChem CID163214076
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine
SMILESCOc1cc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)cc(OC)c1OC
InChIInChI=1S/C19H19N7O3/c1-27-15-7-11(8-16(28-2)17(15)29-3)26-9-14(24-25-26)10-4-5-13-12(6-10)18(20)23-19(21)22-13/h4-9H,1-3H3,(H4,20,21,22,23)
InChIKeySWULRQWLALOGFO-UHFFFAOYSA-N
XLogP2.07
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

Trimetrexate
CID 5583
CP466722
CID 44551660
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
5-methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11328632
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine (CID 163214076) is 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine is COc1cc(-n2cc(-c3ccc4nc(N)nc(N)c4c3)nn2)cc(OC)c1OC.
What is the InChIKey of 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
The InChIKey is SWULRQWLALOGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-27-15-7-11(8-16(28-2)17(15)29-3)26-9-14(24-25-26)10-4-5-13-12(6-10)18(20)23-19(21)22-13/h4-9H,1-3H3,(H4,20,21,22,23).
What are the key properties of 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine?
6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine has a molecular weight of 393.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 163214076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).