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

C19H14BrN5 — CID 57339847

IUPACN-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
SMILESBrc1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1
InChIInChI=1S/C19H14BrN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
InChIKeyTYBHOFHVHWCDQJ-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.84
Rot. Bonds4

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

N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine (PubChem CID 57339847) has the molecular formula C19H14BrN5 and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
PubChem CID57339847
Molecular FormulaC19H14BrN5
Molecular Weight392.26 g/mol
Exact Mass391.04
IUPAC NameN-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine
SMILESBrc1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1
InChIInChI=1S/C19H14BrN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
InChIKeyTYBHOFHVHWCDQJ-UHFFFAOYSA-N
XLogP4.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Bromo-1-methyl-6-(2-pyridinyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine
CID 12562545
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
4-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
CID 1410239
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-7-amine
CID 5327131
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
CID 2801975
2-(2-Bromophenyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 19583172
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
(3) 1H-1,2,4-triazol-3-yl-anilines
CID 57339835

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The IUPAC name of N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine (CID 57339847) is N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine.
What is the SMILES notation for N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The canonical SMILES for N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine is Brc1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1.
What is the InChIKey of N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
The InChIKey is TYBHOFHVHWCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23).
What are the key properties of N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine?
N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine has a molecular weight of 392.26 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromophenyl)-1,2,4-triazol-3-yl]phenyl]pyridin-4-amine is sourced from PubChem (CID 57339847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).