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

C24H21N6O+ — CID 58524870

IUPAC[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4n[nH]nc4CO)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N6O/c25-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(27-22)10-11-26-23(19)24-21(14-31)28-30-29-24/h1-12,31H,13-14,25H2,(H,28,29,30)/p+1
InChIKeyRXHPKXJYTIRPDZ-UHFFFAOYSA-O
MW409.47 g/mol
LogP2.98
Rot. Bonds5

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

[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524870) has the molecular formula C24H21N6O+ and a molecular weight of 409.47 g/mol. Its IUPAC name is [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524870
Molecular FormulaC24H21N6O+
Molecular Weight409.47 g/mol
Exact Mass409.18
IUPAC Name[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4n[nH]nc4CO)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N6O/c25-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(27-22)10-11-26-23(19)24-21(14-31)28-30-29-24/h1-12,31H,13-14,25H2,(H,28,29,30)/p+1
InChIKeyRXHPKXJYTIRPDZ-UHFFFAOYSA-O
XLogP2.98
TPSA115.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium with MolForge

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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-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[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-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
[4-[3-phenyl-5-(4-phenylmethoxyphenyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232590
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524870) is [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(-c4n[nH]nc4CO)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is RXHPKXJYTIRPDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20N6O/c25-13-15-6-8-17(9-7-15)22-18(16-4-2-1-3-5-16)12-19-20(27-22)10-11-26-23(19)24-21(14-31)28-30-29-24/h1-12,31H,13-14,25H2,(H,28,29,30)/p+1.
What are the key properties of [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 409.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).