[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride

C24H21ClN6 — CID 87232560

IUPAC[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
SMILESCc1nc(-c2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)n[nH]1.[Cl-]
InChIInChI=1S/C24H20N6.ClH/c1-15-27-24(30-29-15)23-20-13-19(17-5-3-2-4-6-17)22(28-21(20)11-12-26-23)18-9-7-16(14-25)8-10-18;/h2-13H,14,25H2,1H3,(H,27,29,30);1H
InChIKeyACDMAQFPLRPNQN-UHFFFAOYSA-N
MW428.93 g/mol
LogP0.80
Rot. Bonds4

About [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride

[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride (PubChem CID 87232560) has the molecular formula C24H21ClN6 and a molecular weight of 428.93 g/mol. Its IUPAC name is [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride.

Molecular Properties

Compound Name[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
PubChem CID87232560
Molecular FormulaC24H21ClN6
Molecular Weight428.93 g/mol
Exact Mass428.15
IUPAC Name[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
SMILESCc1nc(-c2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)n[nH]1.[Cl-]
InChIInChI=1S/C24H20N6.ClH/c1-15-27-24(30-29-15)23-20-13-19(17-5-3-2-4-6-17)22(28-21(20)11-12-26-23)18-9-7-16(14-25)8-10-18;/h2-13H,14,25H2,1H3,(H,27,29,30);1H
InChIKeyACDMAQFPLRPNQN-UHFFFAOYSA-N
XLogP0.80
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.93
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677
[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524244
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-[3-phenyl-5-(3-pyrazin-4-ium-2-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 162327880
[4-[3-phenyl-5-(3-pyrazin-4-ium-2-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
CID 87232423
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524701

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride?
The IUPAC name of [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride (CID 87232560) is [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride.
What is the SMILES notation for [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride?
The canonical SMILES for [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride is Cc1nc(-c2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)n[nH]1.[Cl-].
What is the InChIKey of [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride?
The InChIKey is ACDMAQFPLRPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6.ClH/c1-15-27-24(30-29-15)23-20-13-19(17-5-3-2-4-6-17)22(28-21(20)11-12-26-23)18-9-7-16(14-25)8-10-18;/h2-13H,14,25H2,1H3,(H,27,29,30);1H.
What are the key properties of [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride?
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride has a molecular weight of 428.93 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride is sourced from PubChem (CID 87232560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).