N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C23H19N7 — CID 133365280

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C23H19N7/c1-16(21-15-30(29-28-21)18-9-3-2-4-10-18)25-23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-13-24-14-17/h2-16H,1H3,(H,25,26,27)
InChIKeyPKUHAAGJLYUCGJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133365280) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133365280
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2cccnc2)nc2ccccc12)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C23H19N7/c1-16(21-15-30(29-28-21)18-9-3-2-4-10-18)25-23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-13-24-14-17/h2-16H,1H3,(H,25,26,27)
InChIKeyPKUHAAGJLYUCGJ-UHFFFAOYSA-N
XLogP4.45
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 133365280) is N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is CC(Nc1nc(-c2cccnc2)nc2ccccc12)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is PKUHAAGJLYUCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-16(21-15-30(29-28-21)18-9-3-2-4-10-18)25-23-19-11-5-6-12-20(19)26-22(27-23)17-8-7-13-24-14-17/h2-16H,1H3,(H,25,26,27).
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133365280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).