2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

C19H19N7O3 — CID 127039548

IUPAC2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC
InChIInChI=1S/C19H19N7O3/c1-27-7-8-29-16-9-12-14(10-15(16)28-2)22-11-23-18(12)26-19(20)24-17(25-26)13-5-3-4-6-21-13/h3-6,9-11H,7-8H2,1-2H3,(H2,20,24,25)
InChIKeyZXNSGRMQSJUSGX-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.89
Rot. Bonds7

About 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 127039548) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID127039548
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCOCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC
InChIInChI=1S/C19H19N7O3/c1-27-7-8-29-16-9-12-14(10-15(16)28-2)22-11-23-18(12)26-19(20)24-17(25-26)13-5-3-4-6-21-13/h3-6,9-11H,7-8H2,1-2H3,(H2,20,24,25)
InChIKeyZXNSGRMQSJUSGX-UHFFFAOYSA-N
XLogP1.89
TPSA123.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 127039548) is 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is COCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC.
What is the InChIKey of 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is ZXNSGRMQSJUSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-27-7-8-29-16-9-12-14(10-15(16)28-2)22-11-23-18(12)26-19(20)24-17(25-26)13-5-3-4-6-21-13/h3-6,9-11H,7-8H2,1-2H3,(H2,20,24,25).
What are the key properties of 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 393.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127039548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).