2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C19H13ClN6O — CID 19583401

IUPAC2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1cccc(OCn2ccc(-c3nc4c5ccccc5ncn4n3)n2)c1
InChIInChI=1S/C19H13ClN6O/c20-13-4-3-5-14(10-13)27-12-25-9-8-17(23-25)18-22-19-15-6-1-2-7-16(15)21-11-26(19)24-18/h1-11H,12H2
InChIKeyPDOGAUBIUUKBJJ-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.83
Rot. Bonds4

About 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583401) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583401
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1cccc(OCn2ccc(-c3nc4c5ccccc5ncn4n3)n2)c1
InChIInChI=1S/C19H13ClN6O/c20-13-4-3-5-14(10-13)27-12-25-9-8-17(23-25)18-22-19-15-6-1-2-7-16(15)21-11-26(19)24-18/h1-11H,12H2
InChIKeyPDOGAUBIUUKBJJ-UHFFFAOYSA-N
XLogP3.83
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583401) is 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is Clc1cccc(OCn2ccc(-c3nc4c5ccccc5ncn4n3)n2)c1.
What is the InChIKey of 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is PDOGAUBIUUKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c20-13-4-3-5-14(10-13)27-12-25-9-8-17(23-25)18-22-19-15-6-1-2-7-16(15)21-11-26(19)24-18/h1-11H,12H2.
What are the key properties of 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 376.81 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).