3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline

C23H21N5 — CID 163816711

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline
SMILESc1ccc(-c2ccnc(CNc3cccc(-c4nncn4C4CC4)c3)c2)cc1
InChIInChI=1S/C23H21N5/c1-2-5-17(6-3-1)18-11-12-24-21(13-18)15-25-20-8-4-7-19(14-20)23-27-26-16-28(23)22-9-10-22/h1-8,11-14,16,22,25H,9-10,15H2
InChIKeyNRYRXZRHHLKKSB-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.95
Rot. Bonds6

About 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline

3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline (PubChem CID 163816711) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline
PubChem CID163816711
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline
SMILESc1ccc(-c2ccnc(CNc3cccc(-c4nncn4C4CC4)c3)c2)cc1
InChIInChI=1S/C23H21N5/c1-2-5-17(6-3-1)18-11-12-24-21(13-18)15-25-20-8-4-7-19(14-20)23-27-26-16-28(23)22-9-10-22/h1-8,11-14,16,22,25H,9-10,15H2
InChIKeyNRYRXZRHHLKKSB-UHFFFAOYSA-N
XLogP4.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
CID 150771681
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
4-[6-(cyclobutylmethyl)-3-pyridinyl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 158914878
4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58103028
4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 66900294
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171409
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(4-phenylimidazol-1-yl)pyridin-1-ium-1-amine
CID 151538540
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58102924
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-methylpropylsulfanyl)-3-pyridinyl]pyridine-2-carboxamide;N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-methylsulfanyl-3-pyridinyl)pyridine-2-carboxamide
CID 118450802

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline (CID 163816711) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline is c1ccc(-c2ccnc(CNc3cccc(-c4nncn4C4CC4)c3)c2)cc1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline?
The InChIKey is NRYRXZRHHLKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-2-5-17(6-3-1)18-11-12-24-21(13-18)15-25-20-8-4-7-19(14-20)23-27-26-16-28(23)22-9-10-22/h1-8,11-14,16,22,25H,9-10,15H2.
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline has a molecular weight of 367.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 163816711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).