N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine

C18H15N5 — CID 5133674

IUPACN-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
SMILESc1ccc(C(Nc2ccccn2)n2nnc3ccccc32)cc1
InChIInChI=1S/C18H15N5/c1-2-8-14(9-3-1)18(20-17-12-6-7-13-19-17)23-16-11-5-4-10-15(16)21-22-23/h1-13,18H,(H,19,20)
InChIKeyZRZRMWUOKMLMHB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.49
Rot. Bonds4

About N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine

N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine (PubChem CID 5133674) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
PubChem CID5133674
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
SMILESc1ccc(C(Nc2ccccn2)n2nnc3ccccc32)cc1
InChIInChI=1S/C18H15N5/c1-2-8-14(9-3-1)18(20-17-12-6-7-13-19-17)23-16-11-5-4-10-15(16)21-22-23/h1-13,18H,(H,19,20)
InChIKeyZRZRMWUOKMLMHB-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[benzotriazol-1-yl-(4-bromophenyl)methyl]pyridin-2-amine
CID 6611324
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376
ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
CID 10979388
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
N-[(R)-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-nitrophenyl]-(benzotriazol-1-yl)methyl]pyridin-2-amine
CID 124530006
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylaniline
CID 3681820
N-[(S)-benzotriazol-1-yl-(2-chlorophenyl)methyl]-2-methylaniline
CID 40527884
N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999

Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine (CID 5133674) is N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine is c1ccc(C(Nc2ccccn2)n2nnc3ccccc32)cc1.
What is the InChIKey of N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine?
The InChIKey is ZRZRMWUOKMLMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-2-8-14(9-3-1)18(20-17-12-6-7-13-19-17)23-16-11-5-4-10-15(16)21-22-23/h1-13,18H,(H,19,20).
What are the key properties of N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine?
N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 5133674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).