N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine

C19H14ClN5 — CID 57339844

IUPACN-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
SMILESClc1cccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)c1
InChIInChI=1S/C19H14ClN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
InChIKeyWWSMUSMZKHCXMJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.73
Rot. Bonds4

About N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine

N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine (PubChem CID 57339844) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
PubChem CID57339844
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC NameN-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
SMILESClc1cccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)c1
InChIInChI=1S/C19H14ClN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
InChIKeyWWSMUSMZKHCXMJ-UHFFFAOYSA-N
XLogP4.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The IUPAC name of N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine (CID 57339844) is N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine is Clc1cccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The InChIKey is WWSMUSMZKHCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23).
What are the key properties of N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine has a molecular weight of 347.81 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine is sourced from PubChem (CID 57339844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).